OV - Compare Loops

Loops

▶kernel_outer.h: 590 - 60.59%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 590-590 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 590-590 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1206-1207
	1019	13.72	10	17.72	100	100	3869.01	764	18.95	15.55	34.53	97.8	98.73	0
	1026	2.15	1.59	2.81	100	100	4172.31	771	2.98	2.49	5.53	93.33	97.91	0

▶kernel_outer.h: 608 - 23.95%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 608-608 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 608-608 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1206-1207
	1024	1.58	0.67	1.18	100	100	3931.4	759	13.42	6	13.33	97.16	98.8	0
	1017	9.21	4.06	7.19	100	100	3648.63	769	2.43	1.01	2.25	93.8	98.03	0

▶kernel_outer.h: 547 - 21.51%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 213-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-230 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-219 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 547-547 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 95-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
994	2	1.53	2.79	100	96.67	2719.74
987	12.83	10.23	18.72	100	94.93	2403.36

▶fft5d.cpp: 884 - 13.63%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886
21808	0.09	0.02	0.04	0	12.5	0	23109	4.74	2.98	5.29	0	25	0	18634	1.87	1.69	3.76	0	25	0
21809	2.83	2.48	4.53	0	12.5	0	23108	0.05	0.01	0.01	0	25	0

▶kernel_outer.h: 565 - 7.92%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 213-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-230 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-219 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 565-565 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 95-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
992	1.51	0.59	1.08	100	97.02	2862.38
985	9.46	3.74	6.84	100	95.28	2569.22

▶pme_spread.cpp: 639 - 5.45%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 639-641						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 639-641						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 639-641
21742	1.13	0.9	1.64	0	6.25	2.4	23029	0.11	0.03	0.05	0	12.5	6.79	16654	1.23	0.94	2.09	100	100	0
						23028	2.02	0.74	1.31	0	12.5	3.33
						23030	0.37	0.2	0.36	100	50	5.78

▶iterator_interface.hpp: 459 - 4.44%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-85 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 417-432 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 2517-2519						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1942-1947 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 417-432 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 2519-2519						Loop Source Regions
18661	0.8	0.5	0.92	0	6.5	42.94	19774	0.02	0	0.01	0	17.71	NA
4134	0.18	0	0.01	0	8.24	NA	19734	0.55	0.38	0.68	0	13	91.67
						2755	2.71	1.59	2.81	0	21.88	0
						4724	0.19	0	0.01	0	17.5	NA

▶impl_arm_sve_simd_float.h: 83 - 3.83%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 83-83 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 101-101 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 468-468 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 507-507 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 555-555 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-584 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-602 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1064-1064
		772	0.2	0.13	0.28	89.85	92.65	0
		763	1.53	0.7	1.56	91.34	90.52	0
		765	0.97	0.78	1.73	92.46	91.23	0
		770	0.29	0.12	0.26	90.67	91.88	0

▶pme_spread.cpp: 445 - 3.09%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 445-447						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 445-447						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 445-447
21717	0.64	0.5	0.92	0	6.25	0	23002	1.39	0.87	1.54	0	12.5	2.91	18537	0.48	0.28	0.63	100	100	0

▶pme_spread.cpp: 104 - 2.39%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 143-145						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 143-145						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-117 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 141-145
21719	0.53	0.35	0.64	11.43	8.39	87.97	23004	0.97	0.69	1.23	3.13	13.67	67.31	1956	0.35	0.23	0.52	16.03	16.99	0

▶lincs.cpp: 282 - 2.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284
18654	0.87	0.47	0.86	100	100	229.3	19727	0.57	0.34	0.6	0	12.5	64.54	16056	0.32	0.26	0.57	100	100	0

▶pme_gather.cpp: 156 - 2.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 156-158 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 164-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 699-699 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 57-57 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64					Loop Source Regions
	22649	1.77	1.14	2.01	88.89	79.17	767.92

▶atomdata.cpp: 1122 - 2%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-182 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1122 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1221-1221						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1122 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1221-1221 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1124
1594	0.52	0.32	0.58	100	100	45.5	2252	0.92	0.47	0.83	100	100	27.25	2136	0.44	0.27	0.59	66.67	75	0

▶impl_x86_avx_512_util_float.h: 493 - 1.85%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 58-58 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 493-493						Loop Source Regions	Loop Source Regions
21401	1.36	1.01	1.85	91.67	85.94	410.28

▶kernel_outer.h: 624 - 1.66%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 624-624 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 624-624 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1206-1207
	1022	0.1	0.05	0.08	100	100	2706.21	761	0.72	0.44	0.98	99.04	99.18	0
	1015	0.5	0.26	0.47	100	100	3458.68	767	0.12	0.06	0.13	98.55	98.68	0

▶pme_gather.cpp: 247 - 1.57%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 86-86 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 136-136 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 151-156 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 247-251 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 259-260
		18294	1.01	0.7	1.57	93.62	47.87	0

▶fft5d.cpp: 947 - 1.46%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949
21816	0.38	0.3	0.56	33.33	16.67	0	23116	0.34	0.23	0.41	33.33	33.33	0	18630	0.29	0.22	0.49	0	0	0

▶kernel_prune.cpp: 115 - 1.44%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 115-118 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-401						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 115-118 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 131-131 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-167
	1498	0.49	0.35	0.63	93.18	94.03	2401.9	1246	0.44	0.36	0.81	100	91.86	0

▶bonded.cpp: 1151 - 1.41%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 131-131 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 213-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-230 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 253-253 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 264-264 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-280 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 409-409 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/simd_math.h: 1439-1439 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1178 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1186-1191 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1240-1255 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 137-137						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1178 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1240-1255 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 155-155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 165-165 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 248-248 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 261-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-416 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 220-220 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 234-234 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 284-284 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 347-347 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 363-363 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 375-375 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 501-501 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1151 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1159-1170 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 180-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 201-208
20843	0.19	0.12	0.22	47.27	50.67	532	22146	0.32	0.22	0.39	72.14	68.85	515.82	17851	0.53	0.36	0.8	87.26	88.53	0

▶iterator_interface.hpp: 166 - 1.33%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 166-166 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 85-85 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 54-56						Loop Source Regions	Loop Source Regions
2124	1.02	0.73	1.33	0	6.25	0

▶atomdata.cpp: 1207 - 1.21%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1256-1256 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /usr/include/c++/12.2.1/array: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 152-154						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 152-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211 /usr/include/c++/8/bits/stl_vector.h: 1056-1056						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1209 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154
1597	0.34	0.27	0.5	0	12.5	32.59	2250	0.4	0.24	0.43	0	19.93	38.41	2133	0.18	0.13	0.28	25	28.13	0

▶impl_arm_sve_simd4_float.h: 62 - 1.21%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 47-48 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 61-62 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 68-71 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 98-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 111-111 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 118-121 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 135-141 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_simd4.h: 148-153 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 358-376 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 400-400 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 62-62 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 86-86 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 92-102 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 151-156 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 242-242 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1046-1046 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1064-1064
		18542	0.73	0.54	1.21	90.7	52.38	0

▶pme_spread.cpp: 277 - 1.13%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 277-277 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 283-284 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 290-290
		18568	0.73	0.51	1.13	26.09	15.76	0

▶atomdata.cpp: 226 - 1.12%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-236						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-236						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-233
1580	0.36	0.16	0.29	0	6.25	0	2237	0.75	0.36	0.64	0	12.5	0	1893	0.17	0.07	0.15	0	13.89	0
1579	0.02	0.01	0.01	0	6.25	0	2236	0.05	0.02	0.03	0	12.5	0

▶lincs.cpp: 798 - 1.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 280-280 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 452-452 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-810 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 828-828 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 106-106 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 114-114 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 151-153						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-810 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 828-828 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 80-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-810 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 162-166
18662	0.3	0.17	0.31	100	94.59	160.94	19735	0.25	0.16	0.27	91.91	70.77	235.51	16039	0.28	0.21	0.47	93.94	98.48	0

▶kernel_outer.h: 541 - 1%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 71-71 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 213-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-230 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 384-384 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 462-462 /usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-219 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 250-255 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 541-544 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 95-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
988	0.7	0.48	0.88	97.68	93.06	1806.5
995	0.11	0.07	0.12	98.88	95.81	1924.57

▶kernel_outer.h: 584 - 0.91%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-587 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-177					Loop Source Regions
	1020	0.65	0.44	0.78	98.96	99.13	3881.56
	1027	0.13	0.08	0.13	99.29	99.4	3896.27

▶<unknown>: 0 - 0.9%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions
5300	0.02	0	0	0	0	NA	140	0.04	0	0	0	0	NA	2284	0.01	0	0	0	0	NA
19525	0.01	0	0	0	0	NA	74	0	0	0	0	0	NA	1919	0.02	0	0	0	0	NA
4063	0.04	0	0	0	0	NA	107	0	0	0	0	0	NA	15417	0.01	0	0	0	0	NA
21728	0.01	0	0	0	0	NA	136	0.01	0	0	0	0	NA	269	0	0	0	0	0	NA
1984	0.01	0	0	0	0	NA	128	0.02	0	0	0	0	NA	284	0	0	0	0	0	NA
21470	0.03	0	0	0	0	NA	120	0.02	0	0	0	0	NA	1972	0	0	0	0	0	NA
5286	0.02	0	0	0	0	NA	116	0.02	0	0	0	0	NA	4955	0.01	0	0	0	0	NA
18697	0.03	0	0	0	0	NA	112	0.02	0	0	0	0	NA	503	0.01	0	0	0	0	NA
1522	0.02	0	0	0	0	NA	132	0.01	0	0	0	0	NA	2151	0	0	0	0	0	NA
2811	0.01	0	0	0	0	NA	124	0.02	0	0	0	0	NA	18470	0.01	0	0	0	0	NA
3984	0.02	0	0	0	0	NA	73	0.87	0.47	0.84	100	100	3.19	4122	0.01	0	0	0	0	NA
21381	0.04	0	0	0	0	NA	2349	0.05	0	0	0	0	NA	2258	0	0	0	0	0	NA
3688	0.01	0	0	0	0	NA	19717	0.01	0	0	0	0	NA	16318	0.01	0	0	0	0	NA
18705	0	0	0	0	0	NA	4731	0.04	0	0	0	0	NA	16350	0.01	0	0	0	0	NA
18641	0.01	0	0	0	0	NA	22930	0.01	0	0	0	0	NA	4956	0.01	0	0	0	0	NA
1645	0	0	0	0	0	NA	20698	0	0	0	0	0	NA	2343	0	0	0	0	0	NA
4141	0.04	0	0	0	0	NA	4906	0.01	0	0	0	0	NA	3924	0	0	0	0	0	NA
18676	0.02	0	0	0	0	NA	3288	0	0	0	0	0	NA	1932	0	0	0	0	0	NA
5257	0.04	0	0	0	0	NA	19752	0.01	0	0	0	0	NA	15349	0.01	0	0	0	0	NA
1585	0	0	0	0	0	NA	18885	0	0	0	0	0	NA	18571	0.02	0	0	0	0	NA
18709	0.01	0	0	0	0	NA	4875	0.03	0	0	0	0	NA	1984	0	0	0	0	0	NA
2677	0	0	0	0	0	NA	2595	0	0	0	0	0	NA	3719	0	0	0	0	0	NA
2685	0.01	0	0	0	0	NA	19696	0	0	0	0	0	NA	3249	0	0	0	0	0	NA
2661	0	0	0	0	0	NA	23006	0	0	0	0	0	NA	16352	0	0	0	0	0	NA
3400	0	0	0	0	0	NA	3443	0.01	0	0	0	0	NA	16320	0.01	0	0	0	0	NA
5553	0	0	0	0	0	NA	3953	0	0	0	0	0	NA	15422	0	0	0	0	0	NA
18680	0.04	0	0	0	0	NA	2636	0.01	0	0	0	0	NA	1998	0	0	0	0	0	NA
5501	0	0	0	0	0	NA	25238	0	0	0	0	0	NA	2310	0	0	0	0	0	NA
2126	0	0	0	0	0	NA	22219	0.01	0	0	0	0	NA	3921	0.01	0	0	0	0	NA
4280	0	0	0	0	0	NA	19023	0.01	0	0	0	0	NA	16032	0	0	0	0	0	NA
21635	0	0	0	0	0	NA	22915	0	0	0	0	0	NA	16353	0	0	0	0	0	NA
21730	0	0	0	0	0	NA	3290	0	0	0	0	0	NA	4140	0.02	0	0	0	0	NA
21622	0.01	0	0	0	0	NA	19832	0	0	0	0	0	NA	3757	0	0	0	0	0	NA
21655	0.01	0	0	0	0	NA	22886	0.06	0	0	0	0	NA	4172	0	0	0	0	0	NA
18211	0	0	0	0	0	NA	22223	0.01	0	0	0	0	NA	2254	0	0	0	0	0	NA
3714	0	0	0	0	0	NA	4525	0	0	0	0	0	NA	3952	0	0	0	0	0	NA
1632	0	0	0	0	0	NA	2344	0	0	0	0	0	NA	2270	0.05	0	0	0	0	NA
21657	0.01	0	0	0	0	NA	6247	0.02	0	0	0	0	NA	16322	0.01	0	0	0	0	NA
2678	0.01	0	0	0	0	NA	3299	0	0	0	0	0	NA	4958	0	0	0	0	0	NA
17963	0	0	0	0	0	NA	19000	0.02	0	0	0	0	NA	15406	0	0	0	0	0	NA
2683	0	0	0	0	0	NA	3266	0	0	0	0	0	NA	3266	0	0	0	0	0	NA
18783	0	0	0	0	0	NA	3291	0.01	0	0	0	0	NA	16355	0	0	0	0	0	NA
2991	0	0	0	0	0	NA	6216	0	0	0	0	0	NA	16323	0	0	0	0	0	NA
19071	0.02	0	0	0	0	NA	22861	0	0	0	0	0	NA	3290	0	0	0	0	0	NA
18624	0	0	0	0	0	NA	3577	0	0	0	0	0	NA	4396	0.01	0	0	0	0	NA
21485	0	0	0	0	0	NA	23001	0	0	0	0	0	NA	15952	0	0	0	0	0	NA
21628	0.01	0	0	0	0	NA	23115	0.01	0	0	0	0	NA	4392	0.01	0	0	0	0	NA
5241	0	0	0	0	0	NA	2256	0	0	0	0	0	NA	16356	0	0	0	0	0	NA
1545	0	0	0	0	0	NA	4511	0.01	0	0	0	0	NA	16324	0.01	0	0	0	0	NA
3416	0	0	0	0	0	NA	4256	0.02	0	0	0	0	NA	1940	0.01	0	0	0	0	NA
3995	0	0	0	0	0	NA	19714	0.01	0	0	0	0	NA	2261	0	0	0	0	0	NA
21291	0	0	0	0	0	NA	6212	0	0	0	0	0	NA	4286	0.03	0	0	0	0	NA
21803	0	0	0	0	0	NA	4897	0.02	0	0	0	0	NA	15423	0.01	0	0	0	0	NA
1797	0.03	0	0	0	0	NA	22905	0	0	0	0	0	NA	3339	0	0	0	0	0	NA
2654	0	0	0	0	0	NA	23117	0.01	0	0	0	0	NA	16357	0	0	0	0	0	NA
1542	0.04	0	0	0	0	NA	22907	0	0	0	0	0	NA	16325	0.01	0	0	0	0	NA
3987	0	0	0	0	0	NA	2614	0.01	0	0	0	0	NA	15625	0	0	0	0	0	NA
3971	0	0	0	0	0	NA	19010	0	0	0	0	0	NA	4142	0	0	0	0	0	NA
1599	0.01	0	0	0	0	NA	22929	0	0	0	0	0	NA	15973	0.01	0	0	0	0	NA
21280	0.01	0	0	0	0	NA	5982	0.04	0	0	0	0	NA	4174	0	0	0	0	0	NA
5621	0	0	0	0	0	NA	4723	0.14	0	0	0	0	NA	15418	0	0	0	0	0	NA
2679	0.01	0	0	0	0	NA	6203	0	0	0	0	0	NA	16326	0	0	0	0	0	NA
2687	0.01	0	0	0	0	NA	271	0	0	0	0	0	NA	2247	0	0	0	0	0	NA
3699	0	0	0	0	0	NA	23012	0.01	0	0	0	0	NA	2065	0	0	0	0	0	NA
3700	0	0	0	0	0	NA	22931	0	0	0	0	0	NA	4395	0	0	0	0	0	NA
1998	0.02	0	0	0	0	NA	3276	0.01	0	0	0	0	NA	3267	0	0	0	0	0	NA
3693	0.01	0	0	0	0	NA	2756	0	0	0	0	0	NA	16327	0.01	0	0	0	0	NA
17953	0.01	0	0	0	0	NA	19784	0.02	0	0	0	0	NA	3291	0	0	0	0	0	NA
18696	0.01	0	0	0	0	NA	3298	0.01	0	0	0	0	NA	15972	0	0	0	0	0	NA
17957	0.01	0	0	0	0	NA	22902	0	0	0	0	0	NA	15416	0.01	0	0	0	0	NA
2872	0.01	0	0	0	0	NA	20199	0.06	0	0	0	0	NA	16360	0	0	0	0	0	NA
17961	0.01	0	0	0	0	NA	4258	0.02	0	0	0	0	NA	16349	0	0	0	0	0	NA
18663	0.01	0	0	0	0	NA	3950	0	0	0	0	0	NA	4288	0.02	0	0	0	0	NA
4275	0.04	0	0	0	0	NA	3454	0	0	0	0	0	NA	16362	0	0	0	0	0	NA
21615	0.01	0	0	0	0	NA	19755	0	0	0	0	0	NA	3243	0	0	0	0	0	NA
17867	0.01	0	0	0	0	NA	19827	0	0	0	0	0	NA	16361	0	0	0	0	0	NA
21722	0	0	0	0	0	NA	3947	0	0	0	0	0	NA	3156	0.05	0	0	0	0	NA
2089	0.01	0	0	0	0	NA	18876	0	0	0	0	0	NA	4283	0	0	0	0	0	NA
1956	0.01	0	0	0	0	NA	5978	0	0	0	0	0	NA	4399	0	0	0	0	0	NA
21380	0.04	0	0	0	0	NA	5968	0.09	0	0	0	0	NA	2268	0.01	0	0	0	0	NA
4228	0.01	0	0	0	0	NA	2580	0	0	0	0	0	NA	16298	0	0	0	0	0	NA
4273	0.01	0	0	0	0	NA	4274	0	0	0	0	0	NA	4962	0	0	0	0	0	NA
17959	0.01	0	0	0	0	NA	3317	0.01	0	0	0	0	NA	3300	0	0	0	0	0	NA
17979	0.01	0	0	0	0	NA	5936	0.01	0	0	0	0	NA	4289	0	0	0	0	0	NA
4308	0.01	0	0	0	0	NA	19759	0.03	0	0	0	0	NA	3919	0.01	0	0	0	0	NA
4297	0.02	0	0	0	0	NA	4821	0.01	0	0	0	0	NA	15343	0.04	0	0	0	0	NA
3692	0	0	0	0	0	NA	22722	0	0	0	0	0	NA	16363	0.01	0	0	0	0	NA
19098	0	0	0	0	0	NA	19758	0	0	0	0	0	NA	3252	0	0	0	0	0	NA
3690	0.02	0	0	0	0	NA	2607	0	0	0	0	0	NA	2120	0.01	0	0	0	0	NA
5296	0	0	0	0	0	NA	2145	0.01	0	0	0	0	NA	4963	0.01	0	0	0	0	NA
1995	0.01	0	0	0	0	NA	4877	0.01	0	0	0	0	NA	15370	0.01	0	0	0	0	NA
1978	0.01	0	0	0	0	NA	3289	0.01	0	0	0	0	NA	5270	0.01	0	0	0	0	NA
17955	0.02	0	0	0	0	NA	19781	0.01	0	0	0	0	NA	4322	0.03	0	0	0	0	NA
18770	0.01	0	0	0	0	NA	4278	0.01	0	0	0	0	NA	17940	0.01	0	0	0	0	NA
4061	0.05	0	0	0	0	NA	22718	0	0	0	0	0	NA	1988	0	0	0	0	0	NA
1643	0.05	0	0	0	0	NA	22714	0	0	0	0	0	NA	16366	0.01	0	0	0	0	NA
19493	0.01	0	0	0	0	NA	2242	0	0	0	0	0	NA	16497	0	0	0	0	0	NA
17950	0.03	0	0	0	0	NA	3557	0	0	0	0	0	NA	4290	0.02	0	0	0	0	NA
4133	0.05	0	0	0	0	NA	20665	0.01	0	0	0	0	NA	2243	0	0	0	0	0	NA
18708	0.02	0	0	0	0	NA	23014	0	0	0	0	0	NA	2097	0	0	0	0	0	NA
5297	0.09	0	0	0	0	NA	290	0.01	0	0	0	0	NA	3253	0	0	0	0	0	NA
4013	0.01	0	0	0	0	NA	22381	0.07	0	0	0	0	NA	2129	0	0	0	0	0	NA
18677	0.04	0	0	0	0	NA	2353	0.02	0	0	0	0	NA	5232	0	0	0	0	0	NA
2688	0.01	0	0	0	0	NA	5932	0	0	0	0	0	NA	4994	0.01	0	0	0	0	NA
3942	0.01	0	0	0	0	NA	19736	0.04	0	0	0	0	NA	16354	0	0	0	0	0	NA
18679	0.04	0	0	0	0	NA	22532	0	0	0	0	0	NA	1978	0	0	0	0	0	NA
21652	0.01	0	0	0	0	NA	298	0	0	0	0	0	NA	4275	0.01	0	0	0	0	NA
21716	0	0	0	0	0	NA	2728	0.03	0	0	0	0	NA	18330	0.1	0	0	0	0	NA
6223	0	0	0	0	0	NA	2629	0.03	0	0	0	0	NA	4281	0.01	0	0	0	0	NA
1509	0.01	0	0	0	0	NA	5979	0.03	0	0	0	0	NA	4287	0.01	0	0	0	0	NA
21718	0.01	0	0	0	0	NA	2162	0.02	0	0	0	0	NA	15407	0	0	0	0	0	NA
21815	0.01	0	0	0	0	NA	4526	0	0	0	0	0	NA	5485	0.01	0	0	0	0	NA
1951	0.09	0	0	0	0	NA	2187	0.11	0	0	0	0	NA	16397	0.01	0	0	0	0	NA
21720	0.01	0	0	0	0	NA	3296	0	0	0	0	0	NA	1957	0.01	0	0	0	0	NA
21817	0	0	0	0	0	NA	19756	0.04	0	0	0	0	NA	2096	0	0	0	0	0	NA
2705	0.01	0	0	0	0	NA	4648	0.05	0	0	0	0	NA	278	0.01	0	0	0	0	NA
20950	0.01	0	0	0	0	NA	4592	0.01	0	0	0	0	NA	2339	0	0	0	0	0	NA
1971	0	0	0	0	0	NA	2601	0	0	0	0	0	NA	4982	0.06	0	0	0	0	NA
3927	0.01	0	0	0	0	NA	19773	0.02	0	0	0	0	NA	16103	0.01	0	0	0	0	NA
3943	0	0	0	0	0	NA	5940	0.01	0	0	0	0	NA	15954	0.01	0	0	0	0	NA
21462	0	0	0	0	0	NA	3295	0	0	0	0	0	NA	16359	0	0	0	0	0	NA
3944	0.01	0	0	0	0	NA	3464	0	0	0	0	0	NA	3270	0.01	0	0	0	0	NA
5245	0.01	0	0	0	0	NA	6961	0	0	0	0	0	NA	17861	0	0	0	0	0	NA
126	0.05	0	0	0	0	NA	3496	0	0	0	0	0	NA	3286	0	0	0	0	0	NA
95	0.01	0	0	0	0	NA	22926	0.01	0	0	0	0	NA	1955	0.01	0	0	0	0	NA
123	0.02	0	0	0	0	NA	4524	0.01	0	0	0	0	NA	15978	0	0	0	0	0	NA
119	0.02	0	0	0	0	NA	4650	0.1	0	0	0	0	NA	4404	0	0	0	0	0	NA
128	0.1	0.03	0.06	100	100	0	2615	0.01	0	0	0	0	NA	15955	0.01	0	0	0	0	NA
115	0	0	0	0	0	NA	19261	0.01	0	0	0	0	NA	4280	0.02	0	0	0	0	NA
103	0.03	0	0	0	0	NA	2626	0	0	0	0	0	NA	2138	0	0	0	0	0	NA
89	0.01	0	0	0	0	NA	19748	0.01	0	0	0	0	NA	1994	0	0	0	0	0	NA
99	0.03	0	0	0	0	NA							3244	0	0	0	0	0	NA
107	0.04	0	0	0	0	NA							5350	0	0	0	0	0	NA
111	0.03	0	0	0	0	NA							16331	0	0	0	0	0	NA
												4903	0	0	0	0	0	NA
												16655	0	0	0	0	0	NA
												16364	0	0	0	0	0	NA
												1995	0.01	0	0	0	0	NA
												18243	0	0	0	0	0	NA
												18536	0.01	0	0	0	0	NA
												3344	0	0	0	0	0	NA
												15957	0.02	0	0	0	0	NA
												2259	0	0	0	0	0	NA
												15958	0.01	0	0	0	0	NA
												18875	0.03	0	0	0	0	NA
												15638	0	0	0	0	0	NA
												1951	0	0	0	0	0	NA
												15959	0	0	0	0	0	NA
												5491	0.03	0	0	0	0	NA
												3927	0.01	0	0	0	0	NA
												2249	0.01	0	0	0	0	NA
												18000	0.01	0	0	0	0	NA
												17937	0.02	0	0	0	0	NA

▶update.cpp: 1638 - 0.85%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1638-1641						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1637-1641 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions
19339	0.23	0.17	0.32	0	6.25	0	20506	0.43	0.3	0.53	0	18.75	0

▶update.cpp: 481 - 0.83%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 317-321						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 508-514 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions
19336	0.36	0.25	0.47	100	100	89.6	20503	0.35	0.21	0.36	100	98.28	170.31

▶kernel_common.cpp: 74 - 0.81%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 74-76
		2336	0.47	0.36	0.81	0	25	0

▶kernel_outer.h: 602 - 0.81%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-605 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-178					Loop Source Regions
	1025	0.16	0.06	0.11	99.38	99.46	4544.59
	1018	0.9	0.4	0.7	99.05	99.17	3695.06

▶kernel_outer.h: 559 - 0.78%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 213-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-230 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 384-384 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 462-462 /usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-219 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 250-255 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 559-562 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 95-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
986	0.98	0.37	0.68	98.4	94	2260.98
993	0.14	0.05	0.1	99.01	96.28	2803.2

▶pme_spread.cpp: 172 - 0.7%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 172-174						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 172-174						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 172-174
21721	0.19	0.14	0.25	0	6.25	0	23005	0.3	0.19	0.34	0	12.5	2.99	1958	0.09	0.05	0.11	0	18.75	0

▶lincs.cpp: 1087 - 0.68%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 179-179
18646	0.23	0.14	0.26	0	6.25	59.36	19719	0.16	0.1	0.18	0	12.5	109.81	16038	0.17	0.11	0.24	12.5	15.63	0

▶threaded_force_buffer.cpp: 209 - 0.67%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-143 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 209-211						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-143 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 209-211						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 209-211
5130	0.16	0.1	0.19	0	6.25	27.1	5825	0.41	0.13	0.23	0	12.5	25.96	4891	0.2	0.11	0.25	16.67	20.83	0

▶lincs.cpp: 417 - 0.65%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 417-432 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122
		16060	0.41	0.29	0.65	26.32	19.74	0

▶kernel_outer.h: 581 - 0.65%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-219 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 581-581 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 95-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
990	0.09	0.04	0.08	100	93.58	2296
983	0.55	0.31	0.57	100	91.03	2051.1

▶pairlist.cpp: 3407 - 0.54%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3411 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 263-263						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3411						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3409
2672	0.16	0.11	0.2	0	6.25	7.27	3281	0.14	0.09	0.15	0	12.5	240.07	3263	0.12	0.09	0.19	0	12.5	0

▶settle.cpp: 423 - 0.53%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-192 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 373-373 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 389-389 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 429-454 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 471-471 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 485-486 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 603-622 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 628-649						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 429-454 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 471-471 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 485-486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 540-540 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 576-579 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 603-622 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 628-649 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 655-655 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 663-665 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 672-674 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 80-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-396 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions
19100	0.1	0.06	0.12	99.02	98.9	1290.67	20236	0.32	0.21	0.37	96.56	88.41	376.11
						20235	0.06	0.02	0.04	99.28	91.34	566.76

▶pairs.cpp: 863 - 0.52%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-208 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 280-280 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 452-452 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-886 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 892-894 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 934-935 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 114-114						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 315-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 459-474 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-886 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 892-894 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69						Loop Source Regions
21183	0.21	0.16	0.29	25.48	28.45	184.63	22435	0.24	0.13	0.23	54.88	42.91	436.82

▶kernel_prune.cpp: 109 - 0.51%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 389-389 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 109-112 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 125-125 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 148-151 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
1497	0.33	0.28	0.51	89.47	82.24	2000

▶atomdata.cpp: 1173 - 0.47%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102
1588	0.14	0.1	0.19	0	6.25	42.4	2245	0.11	0.07	0.12	0	12.5	52.25	2124	0.11	0.07	0.16	9.09	14.77	0

▶lincs.cpp: 919 - 0.45%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 208-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 280-280 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 389-389 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 452-452 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-930 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 114-114						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-931 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-396 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 69-74						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 101-101 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 278-278 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 284-284 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-931 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149
18657	0.16	0.08	0.14	100	92.37	192	19730	0.13	0.07	0.13	91.3	75.36	303.2	16035	0.16	0.08	0.18	89.74	89.34	0

▶pairlist_simd_4xm.h: 136 - 0.44%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 80-80 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 201-203 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 136-139 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 146-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 189-195 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-401						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 86-86 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 141-141 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 151-151 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 186-186 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 200-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 271-271 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 136-139 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 146-150 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 191-193
	3305	0.18	0.12	0.21	76.71	59.01	272.64	3305	0.14	0.1	0.23	69.18	60.41	0

▶pme_spread.cpp: 197 - 0.41%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 197-199						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 197-199						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 197-199
21715	0.15	0.1	0.18	0	6.25	0	22998	0.03	0.01	0.01	100	100	0	18575	0.1	0.04	0.09	100	100	0
						23000	0.06	0.03	0.05	0	12.5	0
						22999	0.04	0.01	0.02	0	12.5	0
						22997	0.07	0.04	0.06	100	100	0

▶pairlist_simd_2xmm.h: 130 - 0.38%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 78-78 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 129-129 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 177-177 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 198-200 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 389-394 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 130-133 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 140-146 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 170-176 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
2693	0.29	0.21	0.38	73.82	39.3	200.76

▶atomdata.cpp: 1109 - 0.36%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-182 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1109 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1221-1221						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1109 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1221-1221 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1111
1596	0.53	0.06	0.11	100	100	42.67	2254	0.94	0.08	0.14	100	100	28.73	2131	0.38	0.05	0.11	66.67	75	0

▶kernel_common.cpp: 56 - 0.33%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 56-56
		2337	0.22	0.15	0.33	100	100	0

▶bonded.cpp: 2066 - 0.33%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 241-241 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 278-278 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 501-501 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 507-507 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 549-549 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 600-600 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2066-2066 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2074-2087 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2101-2101 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2108-2126
		17860	0.24	0.15	0.33	44.44	53.52	0

▶bonded.cpp: 2059 - 0.33%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 208-208 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2059-2089 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2101-2101 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2111-2111 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2117-2126						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2059-2089 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2101-2101 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2117-2126 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 170-170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 172-172						Loop Source Regions
20856	0.14	0.09	0.16	17.06	15.42	174.67	22155	0.15	0.09	0.17	32.84	37.75	1058.04

▶pme_grid.cpp: 402 - 0.32%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 402-404
		18316	0.21	0.15	0.32	100	100	0

▶stl_algobase.h: 695 - 0.32%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/stl_algobase.h: 695-695					Loop Source Regions
	5944	0.38	0.18	0.32	100	100	0

▶pme_solve.cpp: 234 - 0.3%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 213-213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 230-230 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-238						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-238 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 224-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 416-424 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 600-600 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234
21643	0.07	0.02	0.04	100	100	1768	22910	0.06	0.03	0.05	100	100	1827.77	18468	0.02	0.01	0.02	93.33	97.5	0
												18460	0.14	0.08	0.19	93.33	97.5	0

▶pairs.cpp: 125 - 0.28%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 634-634 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 166-166 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /usr/include/c++/12.2.1/tuple: 236-236 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /usr/include/c++/12.2.1/bits/stl_vector.h: 1256-1256 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 125-157 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-639 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-687 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-714 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-744 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-771 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-824						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 634-634 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /usr/include/c++/8/bits/stl_vector.h: 1056-1056 /usr/include/c++/8/tuple: 163-163 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 125-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-639 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-687 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-714 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-744 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-771 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-824 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 166-166 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459						Loop Source Regions
21179	0.13	0.09	0.17	6.25	8.11	65.56	22430	0.11	0.06	0.11	6.57	16.46	139.84

▶pme_spread.cpp: 353 - 0.27%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 353-353
		18545	0.19	0.12	0.27	100	100	0

▶sim_util.cpp: 473 - 0.25%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-294 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 473-473						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-294 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 473-473						Loop Source Regions
19163	0.02	0.01	0.01	0	6.25	0	20301	0.04	0.01	0.02	0	12.5	0
19165	0.09	0.05	0.1	0	6.25	0	20303	0.11	0.07	0.12	0	12.5	0

▶threaded_force_buffer.cpp: 182 - 0.24%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/tuple: 236-236 /usr/include/c++/12.2.1/bits/stl_vector.h: 1256-1256 /usr/include/c++/12.2.1/array: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-187						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-187 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /usr/include/c++/8/bits/stl_vector.h: 1056-1056 /usr/include/c++/8/tuple: 163-163						Loop Source Regions
5127	0.14	0.08	0.14	50	18.23	5	5822	0.09	0.06	0.1	50	36.46	28.38

▶pme_spread.cpp: 441 - 0.21%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 441-445						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 441-445						Loop Source Regions
21713	0.07	0.04	0.07	0	7.81	0	22994	0.1	0.05	0.08	0	17.31	3.38
21712	0.06	0.02	0.04	0	8.65	0	22995	0.02	0.01	0.02	0	15.63	4.5

▶update.cpp: 361 - 0.2%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387
19308	0.08	0.04	0.08	0	6.25	69.5	20455	0.05	0.02	0.04	0	12.5	204.19	16427	0.07	0.04	0.08	73.81	79.84	0

▶kernel_outer.h: 618 - 0.19%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-178						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 83-83 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 468-468 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 507-507 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 555-555 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1206-1207 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1064-1064
	1016	0.07	0.03	0.06	99.07	99.19	3730.75	768	0.02	0.01	0.02	97.11	96.05	0
	1023	0.02	0.01	0.01	99.34	99.42	1822.27	762	0.09	0.04	0.1	97.44	96.29	0

▶stl_algobase.h: 924 - 0.17%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_algobase.h: 924-924
		4965	0.16	0.08	0.17	100	100	0

▶vec.h: 141 - 0.17%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-172 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 634-634 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/unique_ptr.h: 173-173 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 125-159 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-634 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 652-675 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-714 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 802-804 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/cmath: 464-464 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1169-1169
		18118	0.13	0.07	0.17	25.58	19.33	0

▶md_support.cpp: 139 - 0.17%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 139-145 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 152-157 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 224-224						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 139-145 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 152-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 224-224						Loop Source Regions
18774	0.1	0.06	0.11	1.75	7.04	121.67	19831	0.06	0.03	0.06	1.75	14.09	413.05

▶functions.h: 164 - 0.16%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 115-117 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1829-1838 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1854 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1860-1867 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 445-453 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1042 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1049-1050 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1084 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/cmath: 464-464
		18001	0.04	0.02	0.05	39.44	24.82	0
		17926	0.07	0.05	0.11	46.99	23.19	0

▶pme_grid.cpp: 537 - 0.15%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 537-539						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 537-539						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 537-539
21465	0.07	0.04	0.07	0	6.25	0	22717	0.05	0.01	0.03	0	12.5	0	15391	0.06	0.02	0.05	100	100	0

▶bonded.cpp: 445 - 0.14%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 445-453 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1050 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1084						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 445-453 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1050 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1084						Loop Source Regions
20932	0.1	0.05	0.09	6.4	8.37	125	22209	0.06	0.03	0.05	6.46	16.58	132.38

▶pairlist_simd_4xm.h: 204 - 0.14%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 80-80 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 201-203 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 204-207 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 214-220 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 256-262 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-401						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 86-86 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 141-141 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 151-151 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 186-186 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 200-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h: 271-271 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 204-207 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 214-218 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 258-258
	3304	0.06	0.03	0.06	78.03	59.22	290	3304	0.05	0.04	0.08	72.99	62.14	0

▶update.cpp: 1637 - 0.14%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1638-1641
		16516	0.1	0.06	0.14	0	12.5	0

▶impl_arm_sve_util_float.h: 218 - 0.13%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 218-218
		16429	0.1	0.06	0.13	100	100	0

▶pme_solve.cpp: 555 - 0.12%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561
21639	0.03	0.01	0.02	100	87.5	640	22906	0.06	0.03	0.05	100	70.83	1832.65	18459	0.05	0.02	0.05	100	100	0

▶pme_solve.cpp: 499 - 0.11%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511
21650	0.04	0.01	0.02	100	91.03	1584	22920	0.02	0.01	0.01	100	91.25	575.26	18465	0.07	0.03	0.08	100	100	0

▶pme_solve.cpp: 522 - 0.1%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531
21647	0.03	0.01	0.02	100	100	71	22916	0.04	0.02	0.03	100	100	1711.33	18472	0.04	0.02	0.05	95	95.63	0

▶pairlist_simd_2xmm.h: 185 - 0.1%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 78-78 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 129-129 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 177-177 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h: 198-200 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 389-394 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 185-188 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 195-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 225-231 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
2692	0.09	0.06	0.1	74.85	39.03	239.33

▶manage_threading.cpp: 365 - 0.1%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /usr/include/c++/12.2.1/array: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 136-136 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 365-367						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.h: 110-110 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 365-367 /usr/include/c++/8/bits/stl_vector.h: 933-933						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 136-136 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 365-367 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/array: 57-57
21121	0.02	0	0.01	0	12.5	NA	22373	0.08	0.04	0.08	0	25	0	1973	0.01	0	0.01	0	25	NA

▶calcvir.cpp: 61 - 0.09%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/pbcutil/ishift.h: 72-72 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-75 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 81-81						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-75 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 81-81 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/ishift.h: 72-72						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-67
17904	0.04	0.02	0.03	0	6.25	124	18947	0.04	0.02	0.03	0	12.5	238.32	15401	0.03	0.01	0.03	0	12.95	0

▶pme_solve.cpp: 534 - 0.09%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543
21644	0.02	0.01	0.01	100	100	2224	22912	0.05	0.02	0.03	100	100	1275.52	18463	0.06	0.02	0.05	95	95.63	0

▶pairlist.cpp: 3392 - 0.09%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3396 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 263-263						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3396						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3396
2673	0.04	0.02	0.04	0	6.25	21	3282	0.03	0.01	0.02	0	12.5	371	3264	0.03	0.01	0.03	0	20.83	0

▶vec.h: 335 - 0.09%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 443-443 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 185-189 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/cmath: 145-145
		17837	0.08	0.04	0.09	23.08	21.15	0

▶kernel_outer.h: 575 - 0.08%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 225-225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 270-270 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 368-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 384-384 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-399 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 462-462 /usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-219 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 575-578 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 95-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371						Loop Source Regions	Loop Source Regions
984	0.09	0.04	0.07	98.82	90.66	1586
991	0.02	0	0.01	99.14	93.16	NA

▶pme_solve.cpp: 441 - 0.08%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454
21660	0.05	0.02	0.04	14.29	8.93	180.5	22933	0.04	0.02	0.03	15.79	18.42	806.7	18473	0.02	0.01	0.01	95.83	96.35	0

▶pme_solve.cpp: 457 - 0.08%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470
21659	0.04	0.02	0.04	13.64	8.81	195.5	22932	0.04	0.02	0.03	14.29	17.86	1510.83	18467	0.02	0	0.01	95.83	96.35	NA

▶sim_util.cpp: 150 - 0.06%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 150-150						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 150-150						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 150-152
19168	0.06	0.02	0.03	0	6.25	19.5	20295	0.04	0.01	0.02	0	12.5	38.75	16440	0.02	0.01	0.01	11.11	19.44	0

▶pairlist.cpp: 1981 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1046-1046
2680	0.04	0.01	0.03	0	6.25	0	3294	0.02	0.01	0.01	0	12.5	206.75	3248	0.02	0	0.01	0	21.88	NA

▶threaded_force_buffer.cpp: 200 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-200						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-200						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-202
5128	0.04	0.01	0.02	0	6.25	22	5823	0.04	0.01	0.01	0	12.5	15.88	4893	0.07	0.01	0.02	12.5	20.31	0

▶lincs.cpp: 1155 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 182-182 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155
18643	0.04	0.02	0.03	100	100	96	19716	0.03	0.01	0.01	100	100	50.88	16034	0.01	0.01	0.01	77.78	83.33	0

▶pairlist_simd_2xmm.h: 237 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /usr/include/c++/12.2.1/bits/stl_vector.h: 988-988 /usr/include/c++/12.2.1/bits/stl_vector.h: 1278-1287 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-935 /usr/include/c++/12.2.1/bits/new_allocator.h: 175-175 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 237-242						Loop Source Regions	Loop Source Regions
2691	0.05	0.03	0.05	5.88	8.82	225.33

▶sim_util.cpp: 474 - 0.05%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-294 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 474-474
		1983	0.06	0.02	0.05	0	25	0

▶pme_grid.cpp: 395 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 395-404						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 395-404						Loop Source Regions
21437	0.04	0.02	0.04	0	8.59	0	22686	0.02	0.01	0.01	0	17.19	6

▶pairlist.cpp: 607 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1332						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1332						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1322
2704	0.03	0.01	0.02	0	6.25	0	3316	0.02	0.01	0.01	0	12.5	224.13	3293	0.03	0.01	0.02	0	12.5	0

▶calc_verletbuf.cpp: 530 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /usr/include/c++/12.2.1/cmath: 223-223 /usr/include/c++/12.2.1/cmath: 464-464 /usr/include/c++/12.2.1/cmath: 1325-1325 /usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-85 /usr/include/c++/12.2.1/bits/std_abs.h: 76-76 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 530-539 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 555-559 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 577-582 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 595-615 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 629-638 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 672-688 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 695-696 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 707-721						Loop Source Regions	/usr/include/c++/8/bits/std_abs.h: 75-75 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-85 /usr/include/c++/8/cmath: 223-223 /usr/include/c++/8/cmath: 464-464 /usr/include/c++/8/cmath: 1325-1325 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 530-539 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 555-559 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 577-582 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 595-615 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 629-638 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 672-688 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 695-696 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 707-721						Loop Source Regions
17834	0.81	0.02	0.03	6.83	9.1	77	18872	0.41	0.01	0.01	7.05	18.26	146

▶bonded.cpp: 2179 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 187-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2179-2194 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2206 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2213-2213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2219-2225 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2234-2234 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2247-2256						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2179-2194 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2206 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2213-2213 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2219-2223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2247-2256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 170-170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 157-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 172-172						Loop Source Regions
20857	0.04	0.01	0.02	12.77	15.35	124	22156	0.08	0.01	0.02	27.72	35.75	877.64

▶grid.cpp: 415 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-420						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-420						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-417
1994	0.03	0.01	0.02	0	6.25	0	2625	0.02	0	0.01	0	12.5	NA	2282	0.01	0	0.01	0	25	NA

▶pairlist.cpp: 1991 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1046-1046
2681	0.03	0.01	0.02	0	6.25	0	3293	0.02	0.01	0.01	0	12.5	154.38	3271	0.02	0	0.01	0	21.88	NA

▶pairlist.cpp: 3008 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_algobase.h: 922-922 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3008-3008 /usr/include/c++/12.2.1/array: 61-61						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3008-3008 /usr/include/c++/8/bits/stl_algobase.h: 754-754						Loop Source Regions	/opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_algobase.h: 924-924 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3008-3008 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 142-142
2701	0.03	0.01	0.02	0	12.5	0	3313	0.02	0	0.01	0	25	NA	3260	0.02	0	0.01	0	12.5	NA

▶bonded.cpp: 1914 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx							Run icc-zen3		Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/cmath: 426-426 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1914-1925 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1995-1999 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2006-2008						Loop Source Regions		Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1913-1925 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1995-1999 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2007-2008 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/cmath: 185-185 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/cmath: 426-426
20946	0.02	0.01	0.01	7.84	8.7	36		17936	0.03	0.01	0.03	25	21.25	0

▶stl_vector.h: 1189 - 0.03%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-934 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/ext/new_allocator.h: 162-162 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 268-272 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1189-1194
		3298	0.03	0.01	0.03	0	14.29	0

▶settle.cpp: 469 - 0.03%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 469-471 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 260-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266
		16329	0.04	0.01	0.03	75	81.25	0

▶settle.cpp: 515 - 0.03%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 515-518 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266
		16332	0.04	0.01	0.03	83.33	85.42	0

▶threaded_force_buffer.cpp: 278 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/tuple: 236-236 /usr/include/c++/12.2.1/bits/stl_vector.h: 1261-1261 /usr/include/c++/12.2.1/array: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-280						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-280 /usr/include/c++/8/bits/stl_vector.h: 1060-1060 /usr/include/c++/8/tuple: 163-163						Loop Source Regions	/opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/unique_ptr.h: 173-173 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1173-1173 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-280
5287	0.33	0.01	0.01	29.09	16.14	0	5969	0.28	0.01	0.01	33.33	33.33	0	4971	0.22	0	0.01	0	25	NA

▶bonded.cpp: 1822 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1838 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1847 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2290-2298 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2327						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1838 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1847 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2290-2298 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2327						Loop Source Regions
20860	0.06	0.01	0.02	4.01	8.32	100	22159	0.04	0.01	0.01	3.95	16.59	135.63

▶lincs.cpp: 1215 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 120-120						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 120-120						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223
18637	0.02	0.01	0.01	4	7	82	19710	0.01	0	0.01	4	14	NA	16029	0.02	0	0.01	4.55	13.64	NA

▶lincs.cpp: 1652 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /usr/include/c++/12.2.1/bits/stl_vector.h: 1278-1287 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /usr/include/c++/12.2.1/bits/new_allocator.h: 175-175 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1652-1658 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162						Loop Source Regions	/usr/include/c++/8/ext/new_allocator.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1652-1658 /usr/include/c++/8/bits/stl_vector.h: 933-933 /usr/include/c++/8/bits/stl_vector.h: 1076-1085 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions
18682	0.03	0.01	0.01	0	10.94	0	19746	0.03	0.01	0.02	0	21.67	0

▶bonded.cpp: 129 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 115-117 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /usr/include/c++/12.2.1/cmath: 185-185 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 129-129 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1838 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1863 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2973 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2998-3032						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 115-117 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 129-129 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1838 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1863 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2973 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2993-3032 /usr/include/c++/8/cmath: 185-185						Loop Source Regions
20947	0.06	0.01	0.02	5.58	7.77	85	22220	0.03	0.01	0.01	5.22	15.21	81.75

▶pbc_simd.h: 119 - 0.02%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 69-69 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/pbcutil/pbc_simd.h: 119-121
		16328	0.02	0	0.01	66.67	75	NA
		18119	0.02	0	0.01	66.67	75	NA

▶listed_forces.cpp: 419 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-426 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 445-445 /usr/include/c++/12.2.1/bits/stl_vector.h: 879-879 /usr/include/c++/12.2.1/bits/stl_vector.h: 988-988 /usr/include/c++/12.2.1/bits/stl_iterator.h: 1224-1224 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 180-180 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 56-57						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-426 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 445-445 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 56-57 /usr/include/c++/8/bits/stl_vector.h: 708-708 /usr/include/c++/8/bits/stl_vector.h: 806-806 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 180-180 /usr/include/c++/8/bits/stl_iterator.h: 873-873						Loop Source Regions
21103	0.02	0.01	0.01	11.43	12.72	1	22359	0.01	0	0.01	10.81	25.42	NA

▶pme_solve.cpp: 486 - 0.02%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx		Run icc-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496
	22923	0.01	0	0.01	100	80.43	NA	18464	0.01	0	0.01	100	100	NA

▶stl_algobase.h: 909 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_algobase.h: 909-910						Loop Source Regions	Loop Source Regions
5252	0.02	0	0.01	0	6.25	NA
2874	0.03	0.01	0.01	0	12.5	0

▶pairlist.cpp: 3543 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3543-3546 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3543-3546						Loop Source Regions
2827	0.15	0	0.01	0	12.5	NA	3459	0.16	0	0.01	0	25	NA

▶atomdata.cpp: 1006 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-266 /usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /usr/include/c++/12.2.1/bits/stl_vector.h: 1261-1261 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1006-1011 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 72-72						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1006-1011 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-266 /usr/include/c++/8/bits/stl_vector.h: 951-951						Loop Source Regions
1569	0.01	0	0.01	0	9.82	NA	2223	0.01	0	0.01	0	15	NA

▶fft.cpp: 115 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft.cpp: 115-123						Loop Source Regions	Loop Source Regions
21783	0.03	0.01	0.02	0	10	1040

▶threaded_force_buffer.cpp: 122 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icc-skx							Run icc-zen3							Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_algobase.h: 922-922 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122 /usr/include/c++/8/bits/stl_algobase.h: 754-754						Loop Source Regions
5233	0.02	0	0.01	0	12.5	NA	5919	0.03	0.01	0.01	0	25	0

▶localtopology.cpp: 505 - 0.02%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/ga2la.h: 114-114 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 505-513
		4143	0.03	0.01	0.02	47.62	62.35	0

▶lincs.cpp: 1098 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run icc-skx							Run icc-zen3		Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 110-110 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 198-198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1098-1098						Loop Source Regions		Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1098-1098
18644	0.02	0	0.01	100	100	NA		16036	0.01	0	0.01	66.67	75	NA

▶utilities.h: 57 - 0.02%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 385-390 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 397-397 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 404-409 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-422 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/unique_ptr.h: 173-173 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_iterator.h: 1011-1011 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 180-180 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 57-57 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1046-1046
		1975	0.02	0.01	0.02	0	22.22	0

▶settle.cpp: 601 - 0.02%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 601-604 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254
		16319	0.02	0.01	0.02	77.78	83.33	0

▶pairlist_simd_4xm.h: 268 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/ext/new_allocator.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-935 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /usr/include/c++/8/bits/stl_vector.h: 806-806 /usr/include/c++/8/bits/stl_vector.h: 1076-1085 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 268-273					Loop Source Regions
	3303	0.03	0.01	0.01	5.56	18.75	243.5

▶settle.cpp: 613 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 613-616 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254
		16321	0.01	0	0.01	77.78	83.33	NA

▶grid.cpp: 1462 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1462-1466 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-262 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 263-263					Loop Source Regions
	2575	0.17	0	0.01	0	12.5	NA

▶settle.cpp: 474 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 474-476 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 69-69
		16330	0.02	0	0.01	66.67	75	NA

▶pairlist.cpp: 272 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 272-276
		3269	0.02	0	0.01	0	12.5	NA

▶pme_grid.cpp: 520 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522
		1966	0.02	0	0.01	100	100	NA

▶pairlist.cpp: 1998 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1998-2000						Loop Source Regions	Loop Source Regions
2682	0.01	0	0.01	0	6.25	NA

▶grid.cpp: 823 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 823-834						Loop Source Regions	Loop Source Regions
1983	0.01	0	0.01	0	7.74	NA

▶pairlist.cpp: 281 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 281-282
		3268	0.01	0	0.01	0	12.5	NA

▶stl_iterator.h: 1240 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1124-1124 /usr/include/c++/12.2.1/bits/stl_vector.h: 1278-1287 /usr/include/c++/12.2.1/bits/stl_iterator.h: 1240-1240 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /usr/include/c++/12.2.1/bits/new_allocator.h: 175-175 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1705-1715 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162						Loop Source Regions	Loop Source Regions
18684	0.02	0	0.01	0	10.71	NA

▶vector.tcc: 911 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/vector.tcc: 911-912
		3366	0.01	0	0.01	100	50	NA

▶kerneldispatch.cpp: 266 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kerneldispatch.cpp: 266-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kerneldispatch.cpp: 288-303 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kerneldispatch.cpp: 322-322 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_algobase.h: 924-924 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1046-1046 /opt/arm/gcc-11.2.0_Generic-AArch64_Ubuntu-20.04_aarch64-linux/lib/gcc/aarch64-linux-gnu/11.2.0/../../../../include/c++/11.2.0/bits/stl_vector.h: 1169-1169
		2100	0.01	0	0.01	0	19.23	NA

▶stl_algobase.h: 740 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/stl_algobase.h: 740-742					Loop Source Regions
	3498	0.03	0.01	0.01	0	25	0

▶fft_mkl.cpp: 483 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft_mkl.cpp: 483-489 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft_mkl.cpp: 504-506						Loop Source Regions	Loop Source Regions
21867	0.01	0	0.01	0	10	NA

▶pme_spread.cpp: 911 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 911-911 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 923-923 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_internal.h: 211-211					Loop Source Regions
	23003	0.01	0	0.01	0	13.97	NA

▶grid.cpp: 1241 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/usr/include/c++/12.2.1/bits/stl_vector.h: 1143-1143 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/updategroupscog.h: 116-116 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1241-1242 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1270-1275 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1282-1285 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1305-1311						Loop Source Regions	Loop Source Regions
2005	0.01	0	0.01	0	7.35	NA

▶stl_algobase.h: 684 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run icc-skx		Run icc-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/stl_algobase.h: 684-685					Loop Source Regions
	5943	0.01	0	0.01	0	12.5	NA

▶fft.cpp: 132 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run icc-skx							Run icc-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft.cpp: 132-140						Loop Source Regions	Loop Source Regions
21784	0.02	0	0.01	0	10	NA

▶wallcycle.h: 226 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme.cpp: 1296-1296 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme.cpp: 1306-1311 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme.cpp: 1321-1327 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme.cpp: 1333-1347 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme.cpp: 1355-1361 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme.cpp: 1371-1374 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/timing/wallcycle.h: 226-226 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/timing/wallcycle.h: 268-268 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/gmxlib/nrnb.h: 187-187
		18242	0.02	0	0.01	0	15	NA

▶functions.h: 0 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 196-200 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1826 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2290-2298 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2327-2327
		17865	0.04	0.01	0.01	10	19.58	0

▶manage_threading.cpp: 144 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run icc-skx	Run icc-zen3			Run armclang-g3e
Loop Source Regions	Loop Source Regions			Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 144-146
		18070	0.29	0.01	0.01	0	12.5	0

Report Configuration

Loops

▶kernel_outer.h: 590 - 60.59%

▶kernel_outer.h: 608 - 23.95%

▶kernel_outer.h: 547 - 21.51%

▶fft5d.cpp: 884 - 13.63%

▶kernel_outer.h: 565 - 7.92%

▶pme_spread.cpp: 639 - 5.45%

▶iterator_interface.hpp: 459 - 4.44%

▶impl_arm_sve_simd_float.h: 83 - 3.83%

▶pme_spread.cpp: 445 - 3.09%

▶pme_spread.cpp: 104 - 2.39%

▶lincs.cpp: 282 - 2.03%

▶pme_gather.cpp: 156 - 2.01%

▶atomdata.cpp: 1122 - 2%

▶impl_x86_avx_512_util_float.h: 493 - 1.85%

▶kernel_outer.h: 624 - 1.66%

▶pme_gather.cpp: 247 - 1.57%

▶fft5d.cpp: 947 - 1.46%

▶kernel_prune.cpp: 115 - 1.44%

▶bonded.cpp: 1151 - 1.41%

▶iterator_interface.hpp: 166 - 1.33%

▶atomdata.cpp: 1207 - 1.21%

▶impl_arm_sve_simd4_float.h: 62 - 1.21%

▶pme_spread.cpp: 277 - 1.13%

▶atomdata.cpp: 226 - 1.12%

▶lincs.cpp: 798 - 1.05%

▶kernel_outer.h: 541 - 1%

▶kernel_outer.h: 584 - 0.91%

▶<unknown>: 0 - 0.9%

▶update.cpp: 1638 - 0.85%

▶update.cpp: 481 - 0.83%

▶kernel_common.cpp: 74 - 0.81%

▶kernel_outer.h: 602 - 0.81%

▶kernel_outer.h: 559 - 0.78%

▶pme_spread.cpp: 172 - 0.7%

▶lincs.cpp: 1087 - 0.68%

▶threaded_force_buffer.cpp: 209 - 0.67%

▶lincs.cpp: 417 - 0.65%

▶kernel_outer.h: 581 - 0.65%

▶pairlist.cpp: 3407 - 0.54%

▶settle.cpp: 423 - 0.53%

▶pairs.cpp: 863 - 0.52%

▶kernel_prune.cpp: 109 - 0.51%

▶atomdata.cpp: 1173 - 0.47%

▶lincs.cpp: 919 - 0.45%

▶pairlist_simd_4xm.h: 136 - 0.44%

▶pme_spread.cpp: 197 - 0.41%

▶pairlist_simd_2xmm.h: 130 - 0.38%

▶atomdata.cpp: 1109 - 0.36%

▶kernel_common.cpp: 56 - 0.33%

▶bonded.cpp: 2066 - 0.33%

▶bonded.cpp: 2059 - 0.33%

▶pme_grid.cpp: 402 - 0.32%

▶stl_algobase.h: 695 - 0.32%

▶pme_solve.cpp: 234 - 0.3%

▶pairs.cpp: 125 - 0.28%

▶pme_spread.cpp: 353 - 0.27%

▶sim_util.cpp: 473 - 0.25%

▶threaded_force_buffer.cpp: 182 - 0.24%

▶pme_spread.cpp: 441 - 0.21%

▶update.cpp: 361 - 0.2%

▶kernel_outer.h: 618 - 0.19%

▶stl_algobase.h: 924 - 0.17%

▶vec.h: 141 - 0.17%

▶md_support.cpp: 139 - 0.17%

▶functions.h: 164 - 0.16%

▶pme_grid.cpp: 537 - 0.15%

▶bonded.cpp: 445 - 0.14%

▶pairlist_simd_4xm.h: 204 - 0.14%

▶update.cpp: 1637 - 0.14%

▶impl_arm_sve_util_float.h: 218 - 0.13%

▶pme_solve.cpp: 555 - 0.12%

▶pme_solve.cpp: 499 - 0.11%

▶pme_solve.cpp: 522 - 0.1%

▶pairlist_simd_2xmm.h: 185 - 0.1%

▶manage_threading.cpp: 365 - 0.1%

▶calcvir.cpp: 61 - 0.09%

▶pme_solve.cpp: 534 - 0.09%

▶pairlist.cpp: 3392 - 0.09%