OV - Compare Loops

Loops

▶kernel_outer.h: 590 - 62.34%

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 icx-skx		Run icx-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: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /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: 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: 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
	1138	16.94	10.68	19.42	81.93	84.19	3115.28	764	18.95	15.55	34.53	97.8	98.73	0
	1145	2.46	1.57	2.86	84.81	86.71	3782.35	771	2.98	2.49	5.53	93.33	97.91	0

▶kernel_outer.h: 608 - 23.83%

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 icx-skx		Run icx-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: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /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: 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: 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
	1143	1.86	0.62	1.12	86.85	88.49	3814.34	759	13.42	6	13.33	97.16	98.8	0
	1136	11.21	3.92	7.13	82.92	85.06	3296.68	769	2.43	1.01	2.25	93.8	98.03	0

▶kernel_outer.h: 547 - 15.73%

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 icx-skx							Run icx-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: 201-209 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 221-221 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 301-301 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /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: 97-99 /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
1071	2.05	1.47	2.02	88.84	85.03	2716.79
1064	13.16	10.03	13.71	92.21	85.88	2333.84

▶fft5d.cpp: 884 - 14.82%

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 icx-skx							Run icx-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
15454	0.32	0.09	0.13	0	12.5	0	17020	4.99	2.94	5.34	0	25	0	18634	1.87	1.69	3.76	0	25	0
15455	5.4	3.99	5.45	91.67	23.44	0	17019	0.46	0.08	0.14	0	25	0

▶kernel_outer.h: 565 - 5.9%

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	Assembly Loop ID
Run icx-skx							Run icx-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: 201-209 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 221-221 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 301-301 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /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: 97-99 /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
1062	9.56	3.74	5.12	93.83	87.73	2414.68
1069	1.41	0.57	0.78	90.32	86.69	2805.62

▶pme_spread.cpp: 639 - 4.93%

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 icx-skx		Run icx-zen3							Run armclang-g3e
Loop Source Regions		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
	16902	2.35	1.39	2.52	0	12.5	3.03	16654	1.23	0.94	2.09	100	100	0
	16904	0.37	0.18	0.32	100	100	6.1

▶kernel_common.cpp: 56 - 4.43%

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 icx-skx							Run icx-zen3							Run armclang-g3e
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: 56-56 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 74-76						Loop Source Regions	/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/nbnxm/kernel_common.cpp: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 74-76						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 56-56
1757	1.3	0.99	1.35	88.89	73.61	0	2481	2.74	1.51	2.75	91.67	77.38	0	2337	0.22	0.15	0.33	100	100	0

▶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 icx-skx	Run icx-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

▶fft5d.cpp: 947 - 2.66%

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 icx-skx							Run icx-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
15448	1.34	1.01	1.38	83.33	21.88	0	17012	0.01	0	0.01	0	25	NA	18630	0.29	0.22	0.49	0	0	0
						17013	0.68	0.43	0.78	0	25	0

▶pme_spread.cpp: 445 - 2.51%

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	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 icx-skx							Run icx-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
15375	1.04	0.6	0.83	100	50	0	16925	0.65	0.13	0.24	0	12.5	4.3	18537	0.48	0.28	0.63	100	100	0
						16927	0.91	0.44	0.81	100	50	4.32

▶atomdata.cpp: 1122 - 2.44%

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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icx-skx							Run icx-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: 1122-1124						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1124 /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
1623	0.88	0.48	0.66	100	100	25.33	2332	0.52	0.18	0.32	100	100	29.35	2136	0.44	0.27	0.59	66.67	75	0
1624	0.53	0.21	0.29	100	100	19.05	2331	0.74	0.32	0.58	100	100	32.41

▶pme_spread.cpp: 104 - 2.36%

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 icx-skx							Run icx-zen3							Run armclang-g3e
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: 104-104 /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 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305						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
15406	0.58	0.46	0.62	0	6.45	60.02	16961	1.03	0.67	1.22	17.14	19.29	66.86	1956	0.35	0.23	0.52	16.03	16.99	0

▶lincs.cpp: 417 - 2.14%

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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icx-skx							Run icx-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: 417-432 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122						Loop Source Regions	/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: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122						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
13350	1.09	0.64	0.88	27.78	11.11	48.89	14754	0.56	0.33	0.61	27.78	22.22	162.7	16060	0.41	0.29	0.65	26.32	19.74	0

▶pme_gather.cpp: 156 - 2.02%

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 (%)	Assembly Loop ID
Run icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 156-156 /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
	16654	2.26	1.11	2.02	90.91	82.95	840.36

▶impl_x86_avx_256_simd_float.h: 71 - 1.85%

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 icx-skx		Run icx-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: 243-250 /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: 278-278 /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 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-584 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-602 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 951-951 /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					Loop Source Regions
	1146	0.16	0.09	0.16	86.88	88.24	3667.46
	1139	0.86	0.5	0.9	85.04	86.36	3089.14
	1144	0.19	0.06	0.11	88.3	89.43	4214.92
	1137	1.02	0.37	0.68	85.7	86.97	3456.1

▶settle.cpp: 423 - 1.74%

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 icx-skx							Run icx-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: 182-192 /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: 280-280 /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/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 452-452 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /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 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1263-1263						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/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 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1060-1060 /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: 175-190 /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: 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
13584	0.13	0.07	0.09	98.14	94.53	210.29	15024	0.65	0.41	0.74	96.57	81.48	421.04
13583	0.78	0.6	0.82	98.23	93.87	180	15025	0.11	0.05	0.09	97.1	83.71	454.21

▶bonded.cpp: 1151 - 1.73%

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 icx-skx							Run icx-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: 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: 409-414 /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/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_x86_avx_512/impl_x86_avx_512_util_float.h: 69-69 /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: 195-214 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 273-292						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1151 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1159-1170 /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: 447-474 /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
14751	0.6	0.35	0.48	80.51	50.23	272.91	16283	0.56	0.25	0.45	79.63	64.84	536.32	17851	0.53	0.36	0.8	87.26	88.53	0

▶kernel_outer.h: 624 - 1.72%

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 icx-skx		Run icx-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: 243-243 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /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: 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: 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
	1141	0.09	0.04	0.08	98.08	98.32	2647.03	761	0.72	0.44	0.98	99.04	99.18	0
	1134	0.63	0.29	0.53	98.44	98.63	2372.64	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 icx-skx	Run icx-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

▶impl_x86_avx_512_simd_float.h: 71 - 1.36%

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	Assembly Loop ID
Run icx-skx							Run icx-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: 422-422 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 462-462 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-209 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 221-221 /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_outer.h: 559-559 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 541-541 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 96-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1145-1145						Loop Source Regions	Loop Source Regions
1070	0.17	0.05	0.07	87.39	84.2	2747.2
1063	1.09	0.39	0.53	90.76	85.03	2003.28
1072	0.1	0.06	0.08	87.13	83.78	2566.67
1065	0.75	0.49	0.68	89.68	83.72	1815.35

▶kernel_prune.cpp: 115 - 1.34%

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 icx-skx		Run icx-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: 115-123 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 132-132 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-167 /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: 401-401						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
	1617	0.39	0.29	0.53	88.64	90.34	2850.92	1246	0.44	0.36	0.81	100	91.86	0

▶lincs.cpp: 282 - 1.22%

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 icx-skx		Run icx-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284 /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: 282-284
	14749	0.11	0.04	0.08	0	12.5	127	16056	0.32	0.26	0.57	100	100	0
	14750	0.54	0.31	0.57	44.44	30.56	104.71

▶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 icx-skx	Run icx-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

▶<unknown>: 0 - 1.14%

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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions
88	0	0	0	0	0	NA	95	0.02	0	0	0	0	NA	2284	0.01	0	0	0	0	NA
81	0.02	0.01	0.01	12.5	14.06	8	97	0.02	0	0.01	100	100	NA	1919	0.02	0	0	0	0	NA
87	0.28	0.2	0.27	100	50	0	96	0.93	0.47	0.85	100	100	7.84	15417	0.01	0	0	0	0	NA
79	0.01	0	0	0	0	NA	2317	0	0	0	0	0	NA	269	0	0	0	0	0	NA
15447	0.02	0	0	0	0	NA	4552	0.01	0	0	0	0	NA	284	0	0	0	0	0	NA
1612	0.01	0	0	0	0	NA	4843	0.01	0	0	0	0	NA	1972	0	0	0	0	0	NA
3646	0	0	0	0	0	NA	3928	0	0	0	0	0	NA	4955	0.01	0	0	0	0	NA
3895	0.07	0	0	0	0	NA	3920	0.01	0	0	0	0	NA	503	0.01	0	0	0	0	NA
13287	0.04	0	0	0	0	NA	4652	0.05	0	0	0	0	NA	2151	0	0	0	0	0	NA
4071	0.02	0	0	0	0	NA	3936	0.01	0	0	0	0	NA	18470	0.01	0	0	0	0	NA
3169	0	0	0	0	0	NA	14150	0.05	0	0	0	0	NA	4122	0.01	0	0	0	0	NA
3193	0.02	0	0	0	0	NA	515	0	0	0	0	0	NA	2258	0	0	0	0	0	NA
1741	0.02	0	0	0	0	NA	15330	0.01	0	0	0	0	NA	16318	0.01	0	0	0	0	NA
3880	0.02	0	0	0	0	NA	4861	0	0	0	0	0	NA	16350	0.01	0	0	0	0	NA
4072	0.02	0	0	0	0	NA	14152	0.02	0	0	0	0	NA	4956	0.01	0	0	0	0	NA
13733	0	0	0	0	0	NA	16352	0	0	0	0	0	NA	2343	0	0	0	0	0	NA
3241	0	0	0	0	0	NA	2446	0.01	0	0	0	0	NA	3924	0	0	0	0	0	NA
3458	0.01	0	0	0	0	NA	2407	0	0	0	0	0	NA	1932	0	0	0	0	0	NA
1709	0.01	0	0	0	0	NA	15013	0.02	0	0	0	0	NA	15349	0.01	0	0	0	0	NA
1721	0.08	0	0	0	0	NA	4396	0	0	0	0	0	NA	18571	0.02	0	0	0	0	NA
3194	0.01	0	0	0	0	NA	14726	0	0	0	0	0	NA	1984	0	0	0	0	0	NA
3162	0.02	0	0	0	0	NA	2295	0.09	0	0	0	0	NA	3719	0	0	0	0	0	NA
4524	0.01	0	0	0	0	NA	2304	0.03	0	0	0	0	NA	3249	0	0	0	0	0	NA
13866	0.01	0	0	0	0	NA	4657	0.05	0	0	0	0	NA	16352	0	0	0	0	0	NA
14821	0	0	0	0	0	NA	4574	0	0	0	0	0	NA	16320	0.01	0	0	0	0	NA
4089	0.01	0	0	0	0	NA	16832	0.01	0	0	0	0	NA	15422	0	0	0	0	0	NA
4525	0	0	0	0	0	NA	3817	0.11	0	0	0	0	NA	1998	0	0	0	0	0	NA
13611	0	0	0	0	0	NA	16296	0.02	0	0	0	0	NA	2310	0	0	0	0	0	NA
3195	0.01	0	0	0	0	NA	4207	0	0	0	0	0	NA	3921	0.01	0	0	0	0	NA
13419	0.01	0	0	0	0	NA	2425	0	0	0	0	0	NA	16032	0	0	0	0	0	NA
3898	0.02	0	0	0	0	NA	4575	0.01	0	0	0	0	NA	16353	0	0	0	0	0	NA
12818	0	0	0	0	0	NA	14731	0	0	0	0	0	NA	4140	0.02	0	0	0	0	NA
1694	0	0	0	0	0	NA	14763	0.01	0	0	0	0	NA	3757	0	0	0	0	0	NA
618	0	0	0	0	0	NA	15183	0.01	0	0	0	0	NA	4172	0	0	0	0	0	NA
3899	0.07	0	0	0	0	NA	2313	0.02	0	0	0	0	NA	2254	0	0	0	0	0	NA
3666	0	0	0	0	0	NA	5528	0	0	0	0	0	NA	3952	0	0	0	0	0	NA
1726	0	0	0	0	0	NA	2438	0.03	0	0	0	0	NA	2270	0.05	0	0	0	0	NA
1718	0.02	0	0	0	0	NA	14795	0	0	0	0	0	NA	16322	0.01	0	0	0	0	NA
3637	0	0	0	0	0	NA	5357	0.02	0	0	0	0	NA	4958	0	0	0	0	0	NA
13314	0	0	0	0	0	NA	14702	0	0	0	0	0	NA	15406	0	0	0	0	0	NA
4527	0	0	0	0	0	NA	16954	0	0	0	0	0	NA	3266	0	0	0	0	0	NA
13359	0	0	0	0	0	NA	4416	0	0	0	0	0	NA	16355	0	0	0	0	0	NA
3238	0	0	0	0	0	NA	14733	0	0	0	0	0	NA	16323	0	0	0	0	0	NA
3794	0.01	0	0	0	0	NA	14766	0	0	0	0	0	NA	3290	0	0	0	0	0	NA
12793	0	0	0	0	0	NA	5359	0	0	0	0	0	NA	4396	0.01	0	0	0	0	NA
15400	0	0	0	0	0	NA	2441	0.12	0	0	0	0	NA	15952	0	0	0	0	0	NA
13360	0	0	0	0	0	NA	5604	0	0	0	0	0	NA	4392	0.01	0	0	0	0	NA
13328	0.01	0	0	0	0	NA	14706	0.03	0	0	0	0	NA	16356	0	0	0	0	0	NA
1553	0	0	0	0	0	NA	4004	0	0	0	0	0	NA	16324	0.01	0	0	0	0	NA
4851	0	0	0	0	0	NA	14662	0	0	0	0	0	NA	1940	0.01	0	0	0	0	NA
12968	0	0	0	0	0	NA	16471	0	0	0	0	0	NA	2261	0	0	0	0	0	NA
1586	0.03	0	0	0	0	NA	4852	0	0	0	0	0	NA	4286	0.03	0	0	0	0	NA
13280	0	0	0	0	0	NA	14736	0	0	0	0	0	NA	15423	0.01	0	0	0	0	NA
3234	0	0	0	0	0	NA	14085	0	0	0	0	0	NA	3339	0	0	0	0	0	NA
15090	0	0	0	0	0	NA	2398	0	0	0	0	0	NA	16357	0	0	0	0	0	NA
13362	0	0	0	0	0	NA	15058	0	0	0	0	0	NA	16325	0.01	0	0	0	0	NA
13293	0	0	0	0	0	NA	5665	0	0	0	0	0	NA	15625	0	0	0	0	0	NA
4850	0	0	0	0	0	NA	14737	0.01	0	0	0	0	NA	4142	0	0	0	0	0	NA
12741	0.01	0	0	0	0	NA	5999	0	0	0	0	0	NA	15973	0.01	0	0	0	0	NA
13331	0	0	0	0	0	NA	4387	0.01	0	0	0	0	NA	4174	0	0	0	0	0	NA
3157	0	0	0	0	0	NA	15348	0.01	0	0	0	0	NA	15418	0	0	0	0	0	NA
15404	0	0	0	0	0	NA	4211	0	0	0	0	0	NA	16326	0	0	0	0	0	NA
3178	0	0	0	0	0	NA	3917	0.01	0	0	0	0	NA	2247	0	0	0	0	0	NA
1705	0	0	0	0	0	NA	14764	0.01	0	0	0	0	NA	2065	0	0	0	0	0	NA
1679	0	0	0	0	0	NA	16955	0	0	0	0	0	NA	4395	0	0	0	0	0	NA
3811	0.01	0	0	0	0	NA	4662	0.05	0	0	0	0	NA	3267	0	0	0	0	0	NA
3832	0	0	0	0	0	NA	5666	0	0	0	0	0	NA	16327	0.01	0	0	0	0	NA
3166	0	0	0	0	0	NA	16629	0.01	0	0	0	0	NA	3291	0	0	0	0	0	NA
12730	0.14	0	0	0	0	NA	5360	0.04	0	0	0	0	NA	15972	0	0	0	0	0	NA
1608	0.01	0	0	0	0	NA	16959	0	0	0	0	0	NA	15416	0.01	0	0	0	0	NA
12802	0.01	0	0	0	0	NA	5328	0.02	0	0	0	0	NA	16360	0	0	0	0	0	NA
4552	0.01	0	0	0	0	NA	4212	0.01	0	0	0	0	NA	16349	0	0	0	0	0	NA
13573	0.02	0	0	0	0	NA	3901	0	0	0	0	0	NA	4288	0.02	0	0	0	0	NA
13361	0.01	0	0	0	0	NA	14709	0	0	0	0	0	NA	16362	0	0	0	0	0	NA
13846	0	0	0	0	0	NA	14154	0.01	0	0	0	0	NA	3243	0	0	0	0	0	NA
4790	0	0	0	0	0	NA	4663	0.07	0	0	0	0	NA	16361	0	0	0	0	0	NA
12829	0	0	0	0	0	NA	3924	0.01	0	0	0	0	NA	3156	0.05	0	0	0	0	NA
3164	0	0	0	0	0	NA	4847	0.01	0	0	0	0	NA	4283	0	0	0	0	0	NA
4556	0.03	0	0	0	0	NA	16621	0.01	0	0	0	0	NA	4399	0	0	0	0	0	NA
12798	0.03	0	0	0	0	NA	3981	0	0	0	0	0	NA	2268	0.01	0	0	0	0	NA
3887	0.03	0	0	0	0	NA	14710	0.02	0	0	0	0	NA	16298	0	0	0	0	0	NA
1595	0.03	0	0	0	0	NA	4668	0.02	0	0	0	0	NA	4962	0	0	0	0	0	NA
15287	0.01	0	0	0	0	NA	14822	0	0	0	0	0	NA	3300	0	0	0	0	0	NA
4791	0	0	0	0	0	NA	2459	0.01	0	0	0	0	NA	4289	0	0	0	0	0	NA
4553	0.08	0	0	0	0	NA	3918	0.01	0	0	0	0	NA	3919	0.01	0	0	0	0	NA
15288	0.02	0	0	0	0	NA	14173	0	0	0	0	0	NA	15343	0.04	0	0	0	0	NA
12800	0.03	0	0	0	0	NA	3926	0	0	0	0	0	NA	16363	0.01	0	0	0	0	NA
1756	0	0	0	0	0	NA	14714	0.04	0	0	0	0	NA	3252	0	0	0	0	0	NA
3092	0.13	0	0	0	0	NA	14076	0.05	0	0	0	0	NA	2120	0.01	0	0	0	0	NA
13282	0.05	0	0	0	0	NA	4597	0	0	0	0	0	NA	4963	0.01	0	0	0	0	NA
3902	0.02	0	0	0	0	NA	5362	0	0	0	0	0	NA	15370	0.01	0	0	0	0	NA
3894	0.04	0	0	0	0	NA	4665	0.09	0	0	0	0	NA	5270	0.01	0	0	0	0	NA
5155	0	0	0	0	0	NA	4649	0.01	0	0	0	0	NA	4322	0.03	0	0	0	0	NA
4550	0	0	0	0	0	NA	5363	0.03	0	0	0	0	NA	17940	0.01	0	0	0	0	NA
3829	0	0	0	0	0	NA	2429	0.01	0	0	0	0	NA	1988	0	0	0	0	0	NA
4070	0.02	0	0	0	0	NA	5522	0	0	0	0	0	NA	16366	0.01	0	0	0	0	NA
15291	0.02	0	0	0	0	NA	3919	0.01	0	0	0	0	NA	16497	0	0	0	0	0	NA
1688	0	0	0	0	0	NA	4666	0.06	0	0	0	0	NA	4290	0.02	0	0	0	0	NA
3263	0	0	0	0	0	NA	2413	0	0	0	0	0	NA	2243	0	0	0	0	0	NA
15099	0.01	0	0	0	0	NA	5603	0	0	0	0	0	NA	2097	0	0	0	0	0	NA
1700	0	0	0	0	0	NA	4558	0.01	0	0	0	0	NA	3253	0	0	0	0	0	NA
1696	0.02	0	0	0	0	NA	4842	0.01	0	0	0	0	NA	2129	0	0	0	0	0	NA
3168	0	0	0	0	0	NA							5232	0	0	0	0	0	NA
13285	0.05	0	0	0	0	NA							4994	0.01	0	0	0	0	NA
15293	0.02	0	0	0	0	NA							16354	0	0	0	0	0	NA
3883	0.05	0	0	0	0	NA							1978	0	0	0	0	0	NA
15401	0.01	0	0	0	0	NA							4275	0.01	0	0	0	0	NA
1604	0.02	0	0	0	0	NA							18330	0.1	0	0	0	0	NA
												4281	0.01	0	0	0	0	NA
												4287	0.01	0	0	0	0	NA
												15407	0	0	0	0	0	NA
												5485	0.01	0	0	0	0	NA
												16397	0.01	0	0	0	0	NA
												1957	0.01	0	0	0	0	NA
												2096	0	0	0	0	0	NA
												278	0.01	0	0	0	0	NA
												2339	0	0	0	0	0	NA
												4982	0.06	0	0	0	0	NA
												16103	0.01	0	0	0	0	NA
												15954	0.01	0	0	0	0	NA
												16359	0	0	0	0	0	NA
												3270	0.01	0	0	0	0	NA
												17861	0	0	0	0	0	NA
												3286	0	0	0	0	0	NA
												1955	0.01	0	0	0	0	NA
												15978	0	0	0	0	0	NA
												4404	0	0	0	0	0	NA
												15955	0.01	0	0	0	0	NA
												4280	0.02	0	0	0	0	NA
												2138	0	0	0	0	0	NA
												1994	0	0	0	0	0	NA
												3244	0	0	0	0	0	NA
												5350	0	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

▶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 icx-skx	Run icx-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

▶lincs.cpp: 798 - 1.13%

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 icx-skx							Run icx-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/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/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: 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: 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
13337	0.38	0.28	0.38	99.01	84.28	82.29	14740	0.23	0.16	0.28	90.32	68.39	230.42	16039	0.28	0.21	0.47	93.94	98.48	0

▶atomdata.cpp: 226 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-233						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-233						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-233
1554	0.39	0.19	0.26	0	6.62	0	2259	0.79	0.35	0.64	0	12.5	0	1893	0.17	0.07	0.15	0	13.89	0

▶update.cpp: 1637 - 1.01%

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	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 icx-skx							Run icx-zen3							Run armclang-g3e
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: 1637-1641						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/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305						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
13734	0.31	0.23	0.31	0	9.38	0	15184	0.56	0.31	0.56	0	18.75	0	16516	0.1	0.06	0.14	0	12.5	0

▶bonded.cpp: 2066 - 0.96%

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 icx-skx							Run icx-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: 176-176 /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: 198-213 /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: 253-258 /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: 270-270 /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: 363-368 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 399-414 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 452-457 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 502-502 /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: 2126-2126 /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/listed_forces/bonded.cpp: 2066-2066 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2074-2087 /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: 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: 172-172						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
14760	0.45	0.33	0.45	69.72	55.29	568.85	16292	0.19	0.1	0.18	41.35	43.04	977.6	17860	0.24	0.15	0.33	44.44	53.52	0

▶threaded_force_buffer.cpp: 209 - 0.92%

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	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 icx-skx							Run icx-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: 209-211						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: 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
4478	0.32	0.16	0.23	40	12.5	26.06	5281	0.27	0.1	0.19	40	25	44.03	4891	0.2	0.11	0.25	16.67	20.83	0
4479	0.25	0.1	0.14	40	12.5	32	5282	0.21	0.06	0.11	40	25	57.81

▶atomdata.cpp: 1207 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1258-1258						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../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
1625	0.04	0.01	0.02	0	11.98	0	2333	0.03	0.01	0.02	0	23.75	38.75	2133	0.18	0.13	0.28	25	28.13	0
1626	0.32	0.25	0.34	0	11.31	21.76	2334	0.22	0.1	0.19	0	22.06	48.16

▶update.cpp: 481 - 0.82%

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 icx-skx							Run icx-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: 509-514 /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
13719	0.43	0.33	0.45	100	100	69.82	15171	0.33	0.2	0.37	92.59	90.74	180.92

▶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 icx-skx	Run icx-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

▶threaded_force_buffer.cpp: 78 - 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
Run icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_iterator.h: 1244-1244 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 78-78 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_algobase.h: 931-931						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 78-78 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 696-696 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 887-887						Loop Source Regions
4536	0.46	0.26	0.35	88.89	90.28	0	5339	0.02	0.01	0.01	94.12	95.59	0
4535	0.02	0	0.01	88.89	90.28	NA	5340	0.43	0.18	0.33	94.12	95.59	0

▶pme_solve.cpp: 555 - 0.62%

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 icx-skx							Run icx-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: 555-560						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561
15276	0.48	0.38	0.51	90.91	26.14	101.05	16817	0.07	0.03	0.06	100	87.5	2251.78	18459	0.05	0.02	0.05	100	100	0

▶lincs.cpp: 1087 - 0.62%

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 icx-skx							Run icx-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 /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: 179-179						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 /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: 179-179						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
13336	0.2	0.13	0.18	0	6.25	42.15	14739	0.21	0.11	0.2	0	12.5	110.6	16038	0.17	0.11	0.24	12.5	15.63	0

▶pme_spread.cpp: 172 - 0.6%

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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/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
15399	0.16	0.12	0.16	0	6.25	0	16953	0.32	0.18	0.33	0	12.5	3.06	1958	0.09	0.05	0.11	0	18.75	0

▶kernel_outer.h: 581 - 0.55%

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 icx-skx							Run icx-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: 201-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 209-209 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 221-221 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /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: 97-99 /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
1067	0.09	0.05	0.07	99.17	90.89	1873.6
1060	0.56	0.35	0.48	97.8	86.95	1674.97

▶pairs.cpp: 863 - 0.5%

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 icx-skx							Run icx-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/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-863 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 871-884 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 69-69 /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: 195-214 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 285-292						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: 863-863 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 871-884 /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
14979	0.31	0.2	0.27	62.07	35.36	204.15	16514	0.25	0.13	0.23	67.37	50	441.26

▶lincs.cpp: 919 - 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 icx-skx							Run icx-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: 198-213 /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: 930-931 /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: 64-74						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
13330	0.22	0.13	0.18	96.83	80.46	114.46	14735	0.12	0.06	0.11	94.12	72.79	355.46	16035	0.16	0.08	0.18	89.74	89.34	0

▶pairlist_simd_4xm.h: 136 - 0.46%

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 icx-skx		Run icx-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /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: 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: 201-204 /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: 146-155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 191-193 /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: 401-401						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
	3904	0.17	0.13	0.23	73.18	57.2	233.88	3305	0.14	0.1	0.23	69.18	60.41	0

▶pairlist.cpp: 3407 - 0.46%

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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3409						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3409						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
3191	0.16	0.11	0.15	7.14	7.59	7.64	3912	0.12	0.07	0.12	7.14	15.18	204.02	3263	0.12	0.09	0.19	0	12.5	0

▶atomdata.cpp: 1109 - 0.42%

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 icx-skx							Run icx-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: 1109-1111						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1111 /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
1621	0.46	0.05	0.07	100	100	19.2	2328	0.56	0.05	0.09	100	100	32	2131	0.38	0.05	0.11	66.67	75	0
1620	0.49	0.06	0.08	100	100	16	2329	0.42	0.04	0.07	100	100	26.75

▶kernel_prune.cpp: 109 - 0.42%

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 icx-skx							Run icx-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: 394-394 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 109-117 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 127-127 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 148-149 /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
1543	0.38	0.31	0.42	85.71	79.76	1734.71

▶pme_solve.cpp: 234 - 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 icx-skx							Run icx-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/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/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: 333-341 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h: 502-502 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234 /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_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: 421-421 /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: 123-131						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
15279	0.07	0.04	0.05	100	100	1804	16820	0.1	0.06	0.11	98.23	98.01	1295.49	18468	0.02	0.01	0.02	93.33	97.5	0
15278	0.04	0.02	0.03	100	100	3464.01	16829	0.02	0.01	0.01	98.2	97.97	1010.76	18460	0.14	0.08	0.19	93.33	97.5	0

▶atomdata.cpp: 1173 - 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 icx-skx							Run icx-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
1616	0.16	0.1	0.14	0	6.25	43.3	2324	0.14	0.06	0.11	0	12.5	61.79	2124	0.11	0.07	0.16	9.09	14.77	0

▶vec.h: 141 - 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 icx-skx							Run icx-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: 167-173 /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: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/unique_ptr.h: 199-199 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/cmath: 466-466 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-635 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-654 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 663-685 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-720 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-742 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-777 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-804 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1258-1258 /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: 1030-1041 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1047-1050 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1060 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1067-1084						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/vec.h: 167-173 /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/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: 1030-1041 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1047-1050 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1060 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1067-1084 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/cmath: 464-464 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-635 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-654 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 663-685 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-720 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-742 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-777 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-804 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 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/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
14978	0.06	0.03	0.04	15.92	9.22	127.67	16338	0.06	0.03	0.05	22.38	19.57	144.84	18118	0.13	0.07	0.17	25.58	19.33	0
14807	0.1	0.05	0.07	22.67	9.83	195.6	16513	0.04	0.01	0.03	15.82	18.39	239.13

▶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 icx-skx	Run icx-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

▶pme_grid.cpp: 537 - 0.31%

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 icx-skx							Run icx-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
15190	0.21	0.14	0.19	0	6.25	0	16725	0.11	0.04	0.07	0	12.5	0	15391	0.06	0.02	0.05	100	100	0

▶pairlist_simd_2xmm.h: 130 - 0.29%

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 icx-skx							Run icx-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: 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: 198-201 /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: 394-394 /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: 130-133 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 140-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 172-174 /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
3185	0.26	0.21	0.29	70.48	39.51	184

▶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 icx-skx	Run icx-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

▶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 icx-skx							Run icx-zen3							Run armclang-g3e
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						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						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
13718	0.08	0.05	0.07	35.29	12.87	76.8	15170	0.07	0.03	0.05	30	25	218.38	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 icx-skx		Run icx-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: 243-243 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 951-951 /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: 219-219 /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: 177-177						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
	1142	0.02	0	0.01	97.62	97.75	NA	768	0.02	0.01	0.02	97.11	96.05	0
	1135	0.09	0.03	0.06	97.61	97.67	2832.91	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 icx-skx	Run icx-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

▶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 icx-skx	Run icx-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

▶pairlist_simd_4xm.h: 204 - 0.15%

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 icx-skx		Run icx-zen3							Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /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: 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: 201-204 /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: 214-223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 258-260 /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: 401-401						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
	3903	0.08	0.04	0.07	69.01	56.29	203	3304	0.05	0.04	0.08	72.99	62.14	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 icx-skx	Run icx-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

▶threaded_force_buffer.cpp: 182 - 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
Run icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/unique_ptr.h: 199-199 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/array: 203-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-186 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1258-1258						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-186 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/array: 56-56 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150						Loop Source Regions
4482	0.09	0.05	0.07	0	11.67	11.6	5285	0.05	0.03	0.05	0	23.33	47.75

▶pme_spread.cpp: 197 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/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
15395	0.02	0	0.01	100	50	NA	16949	0.03	0.01	0.01	100	50	0	18575	0.1	0.04	0.09	100	100	0
						16948	0.02	0.01	0.01	0	16.67	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 icx-skx							Run icx-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
15285	0.03	0.01	0.01	100	90.32	1184	16826	0.03	0.01	0.02	100	90.63	578.01	18465	0.07	0.03	0.08	100	100	0

▶pme_solve.cpp: 522 - 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 icx-skx							Run icx-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
15283	0.04	0.01	0.02	93.33	93.75	211	16824	0.06	0.02	0.04	87.5	89.06	3368.73	18472	0.04	0.02	0.05	95	95.63	0

▶bonded.cpp: 1913 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
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: 1993-1999 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2007-2008 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/cmath: 428-428						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1913-1925 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1993-1999 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2007-2008 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/cmath: 426-426						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
14817	0.06	0.03	0.04	2	7.38	27.33	16348	0.05	0.02	0.04	0	14.03	146.31	17936	0.03	0.01	0.03	25	21.25	0

▶pme_solve.cpp: 534 - 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 icx-skx							Run icx-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
15281	0.02	0.01	0.01	93.33	93.75	2204	16822	0.05	0.02	0.04	87.5	89.06	3354.42	18463	0.06	0.02	0.05	95	95.63	0

▶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 icx-skx							Run icx-zen3							Run armclang-g3e
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 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/array: 203-203 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 365-367						Loop Source Regions	/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/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/array: 56-56						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
14939	0.02	0.01	0.01	0	12.5	0	16475	0.09	0.04	0.08	0	25	0	1973	0.01	0	0.01	0	25	NA

▶pme_grid.cpp: 520 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522
15195	0.05	0.02	0.03	0	6.25	0	16730	0.07	0.03	0.06	0	12.5	0	1966	0.02	0	0.01	100	100	NA

▶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 icx-skx	Run icx-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

▶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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3394						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3394						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
3192	0.04	0.02	0.03	0	6.25	27	3913	0.03	0.01	0.03	0	12.5	318.38	3264	0.03	0.01	0.03	0	20.83	0

▶md_support.cpp: 139 - 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
Run icx-skx							Run icx-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/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /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						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/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305						Loop Source Regions
13414	0.07	0.03	0.04	20	13.57	251.67	14817	0.06	0.03	0.05	14.71	26.1	361.84

▶pairlist_simd_2xmm.h: 185 - 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 icx-skx							Run icx-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: 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: 198-201 /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: 394-394 /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: 195-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 227-229 /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
3184	0.11	0.06	0.08	73.61	40.57	277.83

▶calcvir.cpp: 61 - 0.07%

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 icx-skx							Run icx-zen3							Run armclang-g3e
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						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: 67-67						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
12783	0.03	0.02	0.02	55.56	25	156	14133	0.03	0.01	0.02	30	41.25	447.01	15401	0.03	0.01	0.03	0	12.95	0

▶kernel_outer.h: 575 - 0.07%

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 icx-skx							Run icx-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: 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/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 209-209 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 221-221 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /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: 97-99 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h: 371-371 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1145-1145						Loop Source Regions	Loop Source Regions
1068	0.03	0.01	0.01	96.83	89.09	976
1061	0.09	0.05	0.06	95.83	85.68	1187.2

▶sim_util.cpp: 149 - 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 icx-skx							Run icx-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: 149-150						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: 149-150						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
13621	0.04	0.02	0.03	28.57	11.61	48	15062	0.04	0.01	0.02	28.57	23.21	59.88	16440	0.02	0.01	0.01	11.11	19.44	0

▶pairlist.cpp: 152 - 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	Assembly Loop ID
Run icx-skx							Run icx-zen3	Run armclang-g3e
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: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-934 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/new_allocator.h: 187-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 237-242 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1280-1289						Loop Source Regions	Loop Source Regions
3183	0.08	0.05	0.06	6.7	8.8	136.2

▶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 icx-skx	Run icx-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_solve.cpp: 486 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496						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
15286	0.05	0.02	0.02	96.3	63.43	200	16827	0.02	0.01	0.02	40	23.75	1053.64	18464	0.01	0	0.01	100	100	NA

▶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 icx-skx							Run icx-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
13332	0.06	0.02	0.03	100	100	40	14734	0.03	0.01	0.01	100	100	73.88	16034	0.01	0.01	0.01	77.78	83.33	0

▶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 icx-skx							Run icx-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
4480	0.1	0.01	0.02	28.57	11.61	20	5283	0.05	0.01	0.01	28.57	23.21	22.63	4893	0.07	0.01	0.02	12.5	20.31	0

▶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 icx-skx							Run icx-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: 1316-1326						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: 1316-1326						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
3177	0.05	0.01	0.02	0	6.25	0	3935	0.02	0.01	0.01	0	16.32	166.63	3293	0.03	0.01	0.02	0	12.5	0

▶pme_solve.cpp: 441 - 0.04%

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 icx-skx		Run icx-zen3							Run armclang-g3e
Loop Source Regions		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
	16835	0.06	0.01	0.03	5.88	14.71	1424.89	18473	0.02	0.01	0.01	95.83	96.35	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 icx-skx	Run icx-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

▶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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223
13326	0.02	0.01	0.01	0	6.25	103	14727	0.01	0	0.01	0	12.5	NA	16029	0.02	0	0.01	4.55	13.64	NA

▶stl_vector.h: 1280 - 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	Assembly Loop ID
Run icx-skx							Run icx-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3624-3624 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3635-3635 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/new_allocator.h: 187-187 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1280-1289 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 142-142 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/array: 277-277 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_algobase.h: 931-931						Loop Source Regions	Loop Source Regions
3210	0.04	0.02	0.02	0	11.11	0
3209	0.03	0.01	0.01	22.5	14.3	0

▶pairlist.cpp: 1991 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1126-1126						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
3165	0.03	0.01	0.01	0	6.51	0	3927	0.02	0.01	0.01	0	13.02	138.75	3271	0.02	0	0.01	0	21.88	NA

▶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 icx-skx	Run icx-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

▶pairlist.cpp: 1981 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1126-1126						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
3167	0.03	0.01	0.01	0	6.73	0	3929	0.02	0.01	0.01	0	13.1	141.13	3248	0.02	0	0.01	0	21.88	NA

▶manage_threading.cpp: 144 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 144-146						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 144-146						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 144-146
14925	0.24	0	0.01	0	12.5	NA	16461	0.17	0	0.01	0	25	NA	18070	0.29	0.01	0.01	0	12.5	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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/unique_ptr.h: 199-199 /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: 278-278 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1263-1263						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1060-1060 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150						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
4541	0.28	0.01	0.01	100	25	0	5349	0.21	0	0.01	100	50	NA	4971	0.22	0	0.01	0	25	NA

▶pme_grid.cpp: 502 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 502-504						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 502-504						Loop Source Regions
15170	0.42	0.01	0.01	0	6.25	0	16707	0.65	0.01	0.02	0	12.5	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 icx-skx	Run icx-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

▶grid.cpp: 415 - 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 icx-skx							Run icx-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
1701	0.02	0.01	0.01	0	6.62	0	2421	0.01	0	0.01	0	13.24	NA	2282	0.01	0	0.01	0	25	NA

▶pme_solve.cpp: 457 - 0.03%

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 icx-skx		Run icx-zen3							Run armclang-g3e
Loop Source Regions		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
	16834	0.03	0.01	0.02	5.88	14.71	2255.15	18467	0.02	0	0.01	95.83	96.35	NA

▶grid.cpp: 1068 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 72-72 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1068-1070 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1076-1076 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1082-1087 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1126-1126						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1068-1070 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1076-1076 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1082-1087 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 72-72 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933						Loop Source Regions
1699	0.02	0	0.01	17.39	11.96	NA	2419	0.03	0.01	0.01	16.67	22.92	0

▶bonded.cpp: 2960 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2971 /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: 2994-3032 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/cmath: 187-187						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2971 /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: 2994-3032 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/cmath: 185-185						Loop Source Regions
14818	0.04	0.01	0.01	38.61	13.99	61	16349	0.03	0	0.01	36.82	27.74	NA

▶pairlist.cpp: 3008 - 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 icx-skx							Run icx-zen3		Run armclang-g3e
Loop Source Regions	/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 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_algobase.h: 931-931						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 /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
3181	0.03	0.01	0.01	50	18.75	0		3260	0.02	0	0.01	0	12.5	NA

▶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 icx-skx	Run icx-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

▶pairlist.cpp: 272 - 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 icx-skx							Run icx-zen3		Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 272-276						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
3196	0.02	0	0.01	0	6.25	NA		3269	0.02	0	0.01	0	12.5	NA

▶bonded.cpp: 2185 - 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 icx-skx							Run icx-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2185-2194 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2213-2213						Loop Source Regions	Loop Source Regions
14762	0.11	0.02	0.02	9.38	9.04	2

▶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 icx-skx	Run icx-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

▶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 icx-skx							Run icx-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
13334	0.02	0.01	0.01	100	100	64		16036	0.01	0	0.01	66.67	75	NA

▶fft.cpp: 132 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft.cpp: 132-140						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft.cpp: 132-140						Loop Source Regions
15413	0.02	0.01	0.01	0	10	960	16968	0.02	0	0.01	0	20	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 icx-skx	Run icx-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

▶stl_vector.h: 296 - 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 (%)	Assembly Loop ID
Run icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 437-437 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 450-450 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 471-473 /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/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 224-224 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 367-368 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 296-296 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 303-303 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 806-806 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1076-1081 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1645-1646 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 111-111 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 125-125 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 136-136					Loop Source Regions
	14770	0.03	0.01	0.02	0	23.48	0

▶utilities.h: 56 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-422 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_iterator.h: 1077-1077 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_iterator.h: 1228-1228 /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: 419-422 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 784-784 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 873-873 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 56-57						Loop Source Regions
14914	0.02	0	0.01	0	11.55	NA	16450	0.01	0	0.01	0	23.09	NA

▶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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_iterator.h: 1244-1244 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_algobase.h: 931-931						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 754-754 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 887-887						Loop Source Regions
4523	0.01	0	0.01	100	25	NA	5327	0.03	0.01	0.01	100	100	0

▶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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft.cpp: 115-123						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft.cpp: 115-123						Loop Source Regions
15412	0.03	0.01	0.01	0	10	864	16967	0.02	0.01	0.01	0	20	406.63

▶lincs.cpp: 1705 - 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 icx-skx							Run icx-zen3							Run armclang-g3e
Loop Source Regions	/usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_iterator.h: 1111-1111 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_iterator.h: 1244-1244 /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/lincs.cpp: 1705-1715 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1126-1126						Loop Source Regions	/usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 437-437 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 450-450 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 471-473 /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: 1705-1715 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 224-224 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 367-368 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 806-806 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 887-887 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 296-296 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 303-303 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 806-806 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1076-1081 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1645-1646 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 111-111 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 125-125 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 136-136						Loop Source Regions
13364	0.02	0	0.01	0	11.98	NA	14768	0.02	0	0.01	0	22.92	NA

▶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 icx-skx	Run icx-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

▶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 icx-skx	Run icx-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

▶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 icx-skx	Run icx-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

▶pme_solve.cpp: 473 - 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 icx-skx							Run icx-zen3	Run armclang-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 473-475						Loop Source Regions	Loop Source Regions
15289	0.02	0	0.01	100	100	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 icx-skx	Run icx-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_vector.h: 378 - 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 icx-skx							Run icx-zen3	Run armclang-g3e
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/lincs.cpp: 1652-1658 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/new_allocator.h: 147-147 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/new_allocator.h: 168-168 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/new_allocator.h: 187-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_uninitialized.h: 1114-1114 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_uninitialized.h: 1126-1126 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/vector.tcc: 469-469 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/vector.tcc: 483-483 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/vector.tcc: 521-523 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_algobase.h: 262-262 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 378-378 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 386-386 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 990-990 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1126-1126 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1280-1285 /usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_vector.h: 1895-1899						Loop Source Regions	Loop Source Regions
13366	0.02	0.01	0.01	0	11.76	0

▶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 icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 740-742					Loop Source Regions
	3977	0.02	0.01	0.01	100	50	0

▶bonded.cpp: 2179 - 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 icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2179-2179 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2187-2194 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2204 /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: 172-172					Loop Source Regions
	16293	0.07	0.01	0.01	51.27	57.64	812.14

▶stl_algobase.h: 918 - 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 icx-skx							Run icx-zen3	Run armclang-g3e
Loop Source Regions	/usr/lib64/gcc/x86_64-pc-linux-gnu/13.1.1/../../../../include/c++/13.1.1/bits/stl_algobase.h: 918-919						Loop Source Regions	Loop Source Regions
3230	0.02	0.01	0.01	0	12.5	0

▶grid.cpp: 823 - 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 icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 823-834					Loop Source Regions
	2415	0.02	0	0.01	0	16.15	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 icx-skx	Run icx-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

▶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 icx-skx	Run icx-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

▶lincs.cpp: 1942 - 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 icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1942-1947 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459					Loop Source Regions
	14765	0.02	0	0.01	0	20.31	NA

▶constr.cpp: 587 - 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 icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 328-328 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/math/arrayrefwithpadding.h: 108-108 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/math/arrayrefwithpadding.h: 165-165 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/move.h: 194-194 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/constr.cpp: 587-597 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/constr.cpp: 605-607 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150					Loop Source Regions
	14176	0.02	0	0.01	32.1	31.36	NA

▶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 icx-skx	Run icx-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

▶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 icx-skx	Run icx-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

▶atomdata.cpp: 1006 - 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 icx-skx		Run icx-zen3						Run armclang-g3e
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1006-1015 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-266 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 951-951 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056					Loop Source Regions
	2320	0.01	0	0.01	0	20.83	NA

▶bonded.cpp: 196 - 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 icx-skx							Run icx-zen3	Run armclang-g3e
Loop Source Regions	/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: 2290-2298 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2327						Loop Source Regions	Loop Source Regions
14765	0.09	0.01	0.01	1.71	9.24	90

Report Configuration

Loops

▶kernel_outer.h: 590 - 62.34%

▶kernel_outer.h: 608 - 23.83%

▶kernel_outer.h: 547 - 15.73%

▶fft5d.cpp: 884 - 14.82%

▶kernel_outer.h: 565 - 5.9%

▶pme_spread.cpp: 639 - 4.93%

▶kernel_common.cpp: 56 - 4.43%

▶impl_arm_sve_simd_float.h: 83 - 3.83%

▶fft5d.cpp: 947 - 2.66%

▶pme_spread.cpp: 445 - 2.51%

▶atomdata.cpp: 1122 - 2.44%

▶pme_spread.cpp: 104 - 2.36%

▶lincs.cpp: 417 - 2.14%

▶pme_gather.cpp: 156 - 2.02%

▶impl_x86_avx_256_simd_float.h: 71 - 1.85%

▶settle.cpp: 423 - 1.74%

▶bonded.cpp: 1151 - 1.73%

▶kernel_outer.h: 624 - 1.72%

▶pme_gather.cpp: 247 - 1.57%

▶impl_x86_avx_512_simd_float.h: 71 - 1.36%

▶kernel_prune.cpp: 115 - 1.34%

▶lincs.cpp: 282 - 1.22%

▶impl_arm_sve_simd4_float.h: 62 - 1.21%

▶<unknown>: 0 - 1.14%

▶pme_spread.cpp: 277 - 1.13%

▶lincs.cpp: 798 - 1.13%

▶atomdata.cpp: 226 - 1.05%

▶update.cpp: 1637 - 1.01%

▶bonded.cpp: 2066 - 0.96%

▶threaded_force_buffer.cpp: 209 - 0.92%

▶atomdata.cpp: 1207 - 0.85%

▶update.cpp: 481 - 0.82%

▶kernel_common.cpp: 74 - 0.81%

▶threaded_force_buffer.cpp: 78 - 0.7%

▶pme_solve.cpp: 555 - 0.62%

▶lincs.cpp: 1087 - 0.62%

▶pme_spread.cpp: 172 - 0.6%

▶kernel_outer.h: 581 - 0.55%

▶pairs.cpp: 863 - 0.5%

▶lincs.cpp: 919 - 0.47%

▶pairlist_simd_4xm.h: 136 - 0.46%

▶pairlist.cpp: 3407 - 0.46%

▶atomdata.cpp: 1109 - 0.42%

▶kernel_prune.cpp: 109 - 0.42%

▶pme_solve.cpp: 234 - 0.41%

▶atomdata.cpp: 1173 - 0.41%

▶vec.h: 141 - 0.36%

▶pme_grid.cpp: 402 - 0.32%

▶pme_grid.cpp: 537 - 0.31%

▶pairlist_simd_2xmm.h: 130 - 0.29%

▶pme_spread.cpp: 353 - 0.27%

▶update.cpp: 361 - 0.2%

▶kernel_outer.h: 618 - 0.19%

▶stl_algobase.h: 924 - 0.17%

▶functions.h: 164 - 0.16%

▶pairlist_simd_4xm.h: 204 - 0.15%

▶impl_arm_sve_util_float.h: 218 - 0.13%

▶threaded_force_buffer.cpp: 182 - 0.12%

▶pme_spread.cpp: 197 - 0.12%

▶pme_solve.cpp: 499 - 0.11%

▶pme_solve.cpp: 522 - 0.11%

▶bonded.cpp: 1913 - 0.11%

▶pme_solve.cpp: 534 - 0.1%

▶manage_threading.cpp: 365 - 0.1%

▶pme_grid.cpp: 520 - 0.1%

▶vec.h: 335 - 0.09%

▶pairlist.cpp: 3392 - 0.09%

▶md_support.cpp: 139 - 0.09%

▶pairlist_simd_2xmm.h: 185 - 0.08%

▶calcvir.cpp: 61 - 0.07%

▶kernel_outer.h: 575 - 0.07%

▶sim_util.cpp: 149 - 0.06%

▶pairlist.cpp: 152 - 0.06%

▶sim_util.cpp: 474 - 0.05%

▶pme_solve.cpp: 486 - 0.05%

▶lincs.cpp: 1155 - 0.05%

▶threaded_force_buffer.cpp: 200 - 0.05%

▶pairlist.cpp: 607 - 0.05%