| Name | Module | Coverage 1x52 (%) | Max Time Over Threads 1x52 (s) | Time w.r.t. Wall Time 1x52 (s) | Nb Threads 1x52 | Deviation (coverage) 1x52 | Deviation (walltime) 1x52 | Categories 1x52 | GFLOPS 1x52 | Compilation Options |
|---|---|---|---|---|---|---|---|---|---|---|
| ►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | 29.23 | 20.96 | 16.08 | 52 | 5.43 | 2.96 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3147.67 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 1133 - kernel_outer.h:310-639 - libgromacs_mpi.so.7 [...] | 0.51 | 0.67 | 0.28 | 52 | 0.19 | 0.10 | 2941.78 | |||
| ○Loop 1138 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...] | 19.42 | 16.94 | 10.68 | 52 | 7.06 | 3.84 | 3115.28 | |||
| ○Loop 1136 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...] | 7.13 | 11.21 | 3.92 | 52 | 4.87 | 2.65 | 3296.68 | |||
| ○Loop 1139 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...] | 0.9 | 0.86 | 0.5 | 52 | 0.34 | 0.19 | 3089.14 | |||
| ○Loop 1137 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...] | 0.68 | 1.02 | 0.37 | 52 | 0.46 | 0.25 | 3456.10 | |||
| ○Loop 1134 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...] | 0.53 | 0.63 | 0.29 | 52 | 0.28 | 0.15 | 2372.64 | |||
| ○Loop 1135 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...] | 0.06 | 0.09 | 0.03 | 52 | 0.05 | 0.02 | 2832.91 | |||
| ○bool _INTERNAL8eaaea23::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 20.95 | 17.62 | 11.53 | 51 | 4.23 | 2.30 | OMP (%): 100.00 | 4.48 | |
| ►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7 | 6.4 | 5.68 | 3.52 | 52 | 1.99 | 1.08 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.40 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 17008 - fft5d.cpp:789-1407 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.00 | 78.88 | |||
| ►Loop 17009 - fft5d.cpp:918-1166 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 17010 - fft5d.cpp:939-1166 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 24 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 17011 - fft5d.cpp:943-949 - libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 17013 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | 0.78 | 0.68 | 0.43 | 52 | 0.24 | 0.13 | 0.00 | |||
| ○Loop 17012 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 17014 - fft5d.cpp:943-949 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 17015 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 17016 - fft5d.cpp:854-1166 - libgromacs_mpi.so.7 [...] | 0.01 | 0.03 | 0 | 25 | 0.01 | 0.01 | 0.00 | |||
| ►Loop 17017 - fft5d.cpp:876-1166 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 17018 - fft5d.cpp:880-886 - libgromacs_mpi.so.7 | 0.05 | 0.1 | 0.03 | 51 | 0.04 | 0.02 | 0.00 | |||
| ○Loop 17020 - fft5d.cpp:884-886 - libgromacs_mpi.so.7 | 5.34 | 4.99 | 2.94 | 52 | 1.77 | 0.96 | 0.00 | |||
| ○Loop 17019 - fft5d.cpp:884-886 - libgromacs_mpi.so.7 | 0.14 | 0.46 | 0.08 | 48 | 0.19 | 0.10 | 0.00 | |||
| ►Loop 17021 - fft5d.cpp:880-886 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 17022 - fft5d.cpp:884-886 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 17023 - fft5d.cpp:789-820 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 17024 - fft5d.cpp:810-820 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 17025 - fft5d.cpp:814-820 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 17026 - fft5d.cpp:818-820 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 17027 - fft5d.cpp:818-820 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7 | 4.43 | 2.98 | 2.43 | 52 | 0.69 | 0.37 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3776.49 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 1140 - kernel_outer.h:310-648 - libgromacs_mpi.so.7 [...] | 0.08 | 0.11 | 0.04 | 52 | 0.04 | 0.02 | 4229.64 | |||
| ○Loop 1145 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...] | 2.86 | 2.46 | 1.57 | 52 | 0.93 | 0.51 | 3782.35 | |||
| ○Loop 1143 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...] | 1.12 | 1.86 | 0.62 | 52 | 0.81 | 0.44 | 3814.34 | |||
| ○Loop 1146 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...] | 0.16 | 0.16 | 0.09 | 52 | 0.06 | 0.03 | 3667.46 | |||
| ○Loop 1144 - impl_x86_avx_256_simd_float.h:71-406 - libgromacs_mpi.so.7 [...] | 0.11 | 0.19 | 0.06 | 52 | 0.09 | 0.05 | 4214.92 | |||
| ○Loop 1141 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...] | 0.08 | 0.09 | 0.04 | 51 | 0.05 | 0.02 | 2647.03 | |||
| ○Loop 1142 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 51 | 0.01 | 0.00 | 0.00 | |||
| ►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11] | libgromacs_mpi.so.7 | 3.43 | 3.2 | 1.88 | 52 | 1.13 | 0.61 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 269.01 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16923 - pme_spread.cpp:188-988 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 16934 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7 [...] | 1.23 | 1.18 | 0.67 | 52 | 0.46 | 0.25 | 533.89 | |||
| ○Loop 16940 - pme_simd4.h:138-148 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16936 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16937 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16935 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16938 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16939 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16941 - pme_spread.cpp:277-975 - libgromacs_mpi.so.7 [...] | 1.05 | 0.98 | 0.58 | 52 | 0.40 | 0.22 | 249.81 | |||
| ►Loop 16942 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16946 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16945 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16944 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16943 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16947 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...] | 0.04 | 0.05 | 0.02 | 50 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 16949 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.01 | 40 | 0.01 | 0.01 | 0.00 | |||
| ○Loop 16948 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 35 | 0.01 | 0.01 | 0.00 | |||
| ○Loop 16950 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16924 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7 | 0.01 | 0.04 | 0 | 23 | 0.02 | 0.01 | 0.00 | |||
| ►Loop 16926 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 51 | 0.01 | 0.01 | 7.13 | |||
| ○Loop 16927 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7 | 0.81 | 0.91 | 0.44 | 52 | 0.38 | 0.21 | 4.32 | |||
| ○Loop 16925 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7 | 0.24 | 0.65 | 0.13 | 52 | 0.23 | 0.12 | 4.30 | |||
| ►Loop 16928 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16929 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16930 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16931 - pme_spread.cpp:439-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16932 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16933 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7 | 3.18 | 3.25 | 1.75 | 52 | 1.31 | 0.71 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 868.88 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16649 - pme_gather.cpp:91-348 - libgromacs_mpi.so.7 [...] | 1.16 | 1.15 | 0.64 | 52 | 0.52 | 0.28 | 918.14 | |||
| ○Loop 16654 - pme_gather.cpp:156-156 - libgromacs_mpi.so.7 [...] | 2.02 | 2.26 | 1.11 | 52 | 0.85 | 0.46 | 840.36 | |||
| ○Loop 16648 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16651 - pme_gather.cpp:103-323 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16652 - pme_gather.cpp:109-323 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16653 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16650 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted] | libgromacs_mpi.so.7 | 3 | 2.61 | 1.65 | 52 | 0.98 | 0.53 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3.45 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16897 - pme_spread.cpp:477-1011 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16898 - pme_spread.cpp:538-702 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 16899 - pme_spread.cpp:556-702 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 16900 - pme_spread.cpp:574-702 - libgromacs_mpi.so.7 [...] | 0 | 0.02 | 0 | 34 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 16901 - pme_spread.cpp:633-641 - libgromacs_mpi.so.7 | 0.02 | 0.05 | 0.01 | 48 | 0.02 | 0.01 | 7.00 | |||
| ►Loop 16903 - pme_spread.cpp:635-641 - libgromacs_mpi.so.7 | 0.12 | 0.11 | 0.06 | 52 | 0.05 | 0.03 | 4.56 | |||
| ○Loop 16902 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | 2.52 | 2.35 | 1.39 | 52 | 0.96 | 0.52 | 3.03 | |||
| ○Loop 16904 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | 0.32 | 0.37 | 0.18 | 52 | 0.11 | 0.06 | 6.10 | |||
| ○Loop 16905 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16910 - pme_spread.cpp:635-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16912 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16911 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16916 - pme_spread.cpp:635-702 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16917 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16918 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16919 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16920 - pme_spread.cpp:635-702 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16921 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16922 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16906 - pme_spread.cpp:635-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16908 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16907 - pme_spread.cpp:693-695 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16909 - pme_spread.cpp:693-695 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16913 - pme_spread.cpp:635-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16914 - pme_spread.cpp:685-695 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16915 - pme_spread.cpp:693-695 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►clearForceBuffer(nbnxn_atomdata_t*, int) | libgromacs_mpi.so.7 | 2.75 | 2.74 | 1.51 | 52 | 1.06 | 0.58 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 2481 - kernel_common.cpp:56-76 - libgromacs_mpi.so.7 [...] | 2.75 | 2.74 | 1.51 | 52 | 1.06 | 0.58 | 0.00 | |||
| ○mkl_dft_avx2_owns_cRealRecombine_32f | libmkl_avx2.so.2 | 2.52 | 2.11 | 1.39 | 52 | 0.69 | 0.38 | Math (%): 100.00 | 104.67 | |
| ►__intel_avx_rep_memcpy | gmx_mpi | 1.84 | 1.53 | 1.01 | 52 | 0.54 | 0.30 | Memory (%): 100.00 | 6.04 | |
| ○Loop 96 - - gmx_mpi | 0.85 | 0.93 | 0.47 | 52 | 0.31 | 0.17 | 7.84 | |||
| ○Loop 95 - - gmx_mpi | 0 | 0.02 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18] | libgromacs_mpi.so.7 | 1.55 | 1.31 | 0.85 | 52 | 0.42 | 0.23 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 53.44 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16951 - pme_spread.cpp:75-918 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 32 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 16961 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...] | 1.22 | 1.03 | 0.67 | 52 | 0.35 | 0.19 | 66.86 | |||
| ○Loop 16953 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7 | 0.33 | 0.32 | 0.18 | 52 | 0.09 | 0.05 | 3.06 | |||
| ○Loop 16963 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16957 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16964 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16960 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16958 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16955 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 14 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16962 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16959 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 18 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16956 - stl_iterator.h:1123-1123 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16954 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16952 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted] | libgromacs_mpi.so.7 | 1.54 | 1.4 | 0.85 | 52 | 0.47 | 0.26 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 33.71 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2325 - atomdata.cpp:1053-1223 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2326 - atomdata.cpp:1053-1223 - libgromacs_mpi.so.7 [...] | 0.02 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | 56.88 | |||
| ►Loop 2330 - atomdata.cpp:1119-1124 - libgromacs_mpi.so.7 [...] | 0.24 | 0.5 | 0.13 | 49 | 0.23 | 0.12 | 34.63 | |||
| ○Loop 2331 - atomdata.cpp:1122-1124 - libgromacs_mpi.so.7 [...] | 0.58 | 0.74 | 0.32 | 49 | 0.37 | 0.20 | 32.41 | |||
| ○Loop 2332 - atomdata.cpp:1122-1124 - libgromacs_mpi.so.7 [...] | 0.32 | 0.52 | 0.18 | 49 | 0.27 | 0.15 | 29.35 | |||
| ○Loop 2334 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7 [...] | 0.19 | 0.22 | 0.1 | 52 | 0.07 | 0.04 | 48.16 | |||
| ○Loop 2333 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7 [...] | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | 38.75 | |||
| ►Loop 2327 - atomdata.cpp:1106-1111 - libgromacs_mpi.so.7 [...] | 0 | 0.02 | 0 | 14 | 0.01 | 0.01 | 0.00 | |||
| ○Loop 2328 - atomdata.cpp:1109-1111 - libgromacs_mpi.so.7 [...] | 0.09 | 0.56 | 0.05 | 22 | 0.32 | 0.17 | 32.00 | |||
| ○Loop 2329 - atomdata.cpp:1109-1111 - libgromacs_mpi.so.7 [...] | 0.07 | 0.42 | 0.04 | 22 | 0.20 | 0.11 | 26.75 | |||
| ○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 1.42 | 7.55 | 0.78 | 52 | 3.22 | 1.76 | OMP (%): 100.00 | 12.15 | |
| ►gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) | libgromacs_mpi.so.7 | 1.33 | 1.17 | 0.73 | 52 | 0.43 | 0.23 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 108.70 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 14741 - lincs.cpp:320-322 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14742 - lincs.cpp:320-320 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14747 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14748 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...] | 0.68 | 0.63 | 0.38 | 52 | 0.24 | 0.13 | 109.74 | |||
| ○Loop 14750 - lincs.cpp:282-284 - libgromacs_mpi.so.7 [...] | 0.57 | 0.54 | 0.31 | 52 | 0.19 | 0.10 | 104.71 | |||
| ○Loop 14749 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | 0.08 | 0.11 | 0.04 | 52 | 0.04 | 0.02 | 127.00 | |||
| ►Loop 14743 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14744 - lincs.cpp:270-340 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14745 - lincs.cpp:332-336 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14746 - lincs.cpp:332-336 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_dft_avx2_ownscDftInv_Prime8_32fc | libmkl_avx2.so.2 | 1.11 | 0.87 | 0.61 | 52 | 0.28 | 0.15 | Math (%): 100.00 | 295.41 | |
| ○mkl_dft_avx2_ownscDftInv_Fact4_32fc | libmkl_avx2.so.2 | 0.99 | 0.78 | 0.54 | 52 | 0.25 | 0.14 | Math (%): 100.00 | 342.31 | |
| ►__intel_avx_rep_memset | gmx_mpi | 0.94 | 1.24 | 0.52 | 52 | 0.51 | 0.28 | Memory (%): 99.98 MPI (%): 0.02 | 3.11 | |
| ○Loop 97 - - gmx_mpi | 0.01 | 0.02 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
| ►void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*) | libgromacs_mpi.so.7 | 0.83 | 0.74 | 0.46 | 52 | 0.27 | 0.15 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 425.27 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 15024 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...] | 0.74 | 0.65 | 0.41 | 52 | 0.24 | 0.13 | 421.04 | |||
| ○Loop 15025 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...] | 0.09 | 0.11 | 0.05 | 52 | 0.04 | 0.02 | 454.21 | |||
| ○Loop 15023 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15022 - settle.cpp:423-423 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67] | libgromacs_mpi.so.7 | 0.76 | 0.54 | 0.42 | 52 | 0.13 | 0.07 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 230.11 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 3893 - stl_algobase.h:200-754 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 3892 - pairlist.cpp:152-4018 - libgromacs_mpi.so.7 [...] | 0.05 | 0.06 | 0.03 | 52 | 0.02 | 0.01 | 193.63 | |||
| ○Loop 3904 - pairlist_simd_4xm.h:136-193 - libgromacs_mpi.so.7 [...] | 0.23 | 0.17 | 0.13 | 52 | 0.05 | 0.03 | 233.88 | |||
| ►Loop 3891 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0.08 | 0.08 | 0.04 | 52 | 0.03 | 0.01 | 245.32 | |||
| ○Loop 3912 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.7 | 0.12 | 0.12 | 0.07 | 52 | 0.04 | 0.02 | 204.02 | |||
| ○Loop 3913 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.7 | 0.03 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | 318.38 | |||
| ►Loop 3890 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 3914 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 230.25 | |||
| ○Loop 3927 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.00 | 138.75 | |||
| ○Loop 3929 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 141.13 | |||
| ►Loop 3933 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 121.75 | |||
| ►Loop 3934 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...] | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | 282.44 | |||
| ○Loop 3935 - pairlist.cpp:607-1326 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 166.63 | |||
| ○Loop 3916 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3915 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3926 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 39 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3924 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 52 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3930 - pairlist.cpp:1432-1648 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3931 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3932 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3925 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3889 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 3888 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0.01 | 52 | 0.01 | 0.00 | 107.50 | |||
| ○Loop 3920 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 3919 - pairlist.cpp:281-283 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 52 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3887 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 21 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3886 - pairlist.cpp:184-4018 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 3885 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 35 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3884 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 42 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3882 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3921 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3922 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3923 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3846 - pairlist.cpp:223-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 3881 - pairlist.cpp:258-3129 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3848 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3849 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3850 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3880 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3879 - pairlist.cpp:281-283 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3852 - pairlist.cpp:230-4018 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3862 - pairlist.cpp:613-1255 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3854 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3855 - pairlist.cpp:865-1834 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3856 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3857 - grid.h:239-295 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3858 - pairlist.cpp:865-1816 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3863 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3864 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3865 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3866 - pairlist.cpp:230-3958 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3874 - pairlist.cpp:1152-1188 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3869 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3870 - pairlist.cpp:902-904 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3868 - pairlist.cpp:902-904 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3871 - pairlist.cpp:900-3958 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3872 - pairlist.cpp:902-904 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3867 - pairlist.cpp:902-904 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3873 - pairlist.cpp:517-596 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3875 - pairlist.cpp:3407-3409 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3876 - pairlist.cpp:3392-3394 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3877 - pairlist.cpp:279-283 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3853 - stl_vector.h:933-1085 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3859 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3860 - pairlist.cpp:613-1938 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3861 - pairlist.cpp:613-1326 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3851 - pairlist.cpp:2348-2358 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3878 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3847 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3883 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3917 - pairlist.cpp:279-283 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 51 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3918 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 50 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3936 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 49 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3928 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 39 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3903 - pairlist_simd_4xm.h:204-260 - libgromacs_mpi.so.7 [...] | 0.07 | 0.08 | 0.04 | 52 | 0.03 | 0.01 | 203.00 | |||
| ►Loop 3900 - pairlist.cpp:152-3958 - libgromacs_mpi.so.7 [...] | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | 155.19 | |||
| ○Loop 3902 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3901 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3899 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3895 - vector.tcc:471-473 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3896 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3897 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3908 - pairlist.cpp:1028-1062 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3909 - pairlist.cpp:1045-1057 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3898 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3905 - vector.tcc:471-473 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3906 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3907 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3910 - pairlist.cpp:983-1017 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3911 - pairlist.cpp:1000-1012 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3894 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3845 - clusterdistancekerneltype.h:79-79 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7 | 0.65 | 0.79 | 0.36 | 36 | 0.32 | 0.17 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 2259 - atomdata.cpp:226-233 - libgromacs_mpi.so.7 | 0.64 | 0.79 | 0.35 | 36 | 0.32 | 0.17 | 0.00 | |||
| ○Loop 2261 - atomdata.cpp:207-214 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2260 - atomdata.cpp:207-214 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2258 - atomdata.cpp:240-247 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2264 - atomdata.cpp:161-163 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2262 - atomdata.cpp:193-200 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2257 - atomdata.cpp:240-247 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2256 - atomdata.cpp:172-176 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2265 - atomdata.cpp:154-158 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2255 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2263 - atomdata.cpp:161-163 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa... | libgromacs_mpi.so.7 | 0.62 | 0.5 | 0.34 | 52 | 0.18 | 0.10 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 216.02 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 14740 - lincs.cpp:798-810 - libgromacs_mpi.so.7 [...] | 0.28 | 0.23 | 0.16 | 52 | 0.08 | 0.05 | 230.42 | |||
| ○Loop 14727 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 14738 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 14739 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...] | 0.2 | 0.21 | 0.11 | 52 | 0.07 | 0.04 | 110.60 | |||
| ►Loop 14732 - lincs.cpp:798-1173 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 32 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14735 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...] | 0.11 | 0.12 | 0.06 | 52 | 0.04 | 0.02 | 355.46 | |||
| ○Loop 14734 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...] | 0.01 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | 73.88 | |||
| ○Loop 14733 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14731 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14730 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14728 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14729 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14736 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 14737 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 51 | 0.01 | 0.00 | 0.00 | |||
| ►gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<gmx::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) | libgromacs_mpi.so.7 | 0.61 | 0.56 | 0.33 | 52 | 0.20 | 0.11 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 162.76 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 14754 - lincs.cpp:417-432 - libgromacs_mpi.so.7 [...] | 0.61 | 0.56 | 0.33 | 52 | 0.20 | 0.11 | 162.70 | |||
| ○Loop 14753 - lincs.cpp:437-450 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted] | libgromacs_mpi.so.7 | 0.57 | 0.56 | 0.31 | 52 | 0.22 | 0.12 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 15184 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...] | 0.56 | 0.56 | 0.31 | 52 | 0.22 | 0.12 | 0.00 | |||
| ○Loop 15183 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_dft_avx2_ipps_cFFTfwd_64_32fc | libmkl_avx2.so.2 | 0.56 | 0.52 | 0.31 | 52 | 0.18 | 0.10 | Math (%): 100.00 | 92.71 | |
| ○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.56 | 0.48 | 0.31 | 52 | 0.13 | 0.07 | OMP (%): 100.00 | 5.09 | |
| ►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7 | 0.54 | 0.39 | 0.3 | 52 | 0.10 | 0.05 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 2824.80 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 1616 - kernel_prune.cpp:76-176 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 2056.52 | |||
| ○Loop 1617 - kernel_prune.cpp:115-167 - libgromacs_mpi.so.7 [...] | 0.53 | 0.39 | 0.29 | 52 | 0.10 | 0.05 | 2850.92 | |||
| ►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*... | libgromacs_mpi.so.7 | 0.45 | 0.56 | 0.25 | 52 | 0.16 | 0.08 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 536.39 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16283 - bonded.cpp:1151-1170 - libgromacs_mpi.so.7 [...] | 0.45 | 0.56 | 0.25 | 52 | 0.16 | 0.08 | 536.32 | |||
| ►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co... | libgromacs_mpi.so.7 | 0.43 | 0.38 | 0.23 | 52 | 0.14 | 0.08 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 185.99 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 15171 - update.cpp:481-481 - libgromacs_mpi.so.7 [...] | 0.37 | 0.33 | 0.2 | 52 | 0.12 | 0.07 | 180.92 | |||
| ○Loop 15170 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | 0.05 | 0.07 | 0.03 | 52 | 0.03 | 0.02 | 218.38 | |||
| ○Loop 15166 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15155 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15169 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15181 - update.cpp:949-965 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15156 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15174 - update.cpp:368-387 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15162 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15172 - update.cpp:368-387 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15176 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15165 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15173 - update.cpp:368-387 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15182 - update.cpp:893-914 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15180 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15159 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 15177 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15178 - update.cpp:1291-1332 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15175 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15158 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15161 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15168 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15164 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15167 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15179 - update.cpp:1137-1190 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15157 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15160 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15154 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 15163 - update.cpp:579-641 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl... | libgromacs_mpi.so.7 | 0.43 | 0.51 | 0.23 | 52 | 0.18 | 0.10 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 47.82 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 5279 - threaded_force_buffer.cpp:170-211 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 28.63 | |||
| ○Loop 5285 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...] | 0.05 | 0.05 | 0.03 | 52 | 0.02 | 0.01 | 47.75 | |||
| ►Loop 5280 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...] | 0.04 | 0.09 | 0.02 | 52 | 0.04 | 0.02 | 58.88 | |||
| ○Loop 5281 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...] | 0.19 | 0.27 | 0.1 | 52 | 0.12 | 0.07 | 44.03 | |||
| ○Loop 5282 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...] | 0.11 | 0.21 | 0.06 | 52 | 0.09 | 0.05 | 57.81 | |||
| ○Loop 5283 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...] | 0.01 | 0.05 | 0.01 | 45 | 0.02 | 0.01 | 22.63 | |||
| ○Loop 5284 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7 | 0.39 | 0.35 | 0.21 | 52 | 0.10 | 0.06 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 1927.97 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16816 - pme_solve.cpp:234-561 - libgromacs_mpi.so.7 [...] | 0.04 | 0.06 | 0.02 | 52 | 0.02 | 0.01 | 2948.41 | |||
| ○Loop 16820 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...] | 0.11 | 0.1 | 0.06 | 52 | 0.04 | 0.02 | 1295.49 | |||
| ○Loop 16817 - pme_solve.cpp:555-560 - libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 52 | 0.03 | 0.01 | 2251.78 | |||
| ○Loop 16824 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | 0.04 | 0.06 | 0.02 | 52 | 0.02 | 0.01 | 3368.73 | |||
| ○Loop 16822 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | 3354.42 | |||
| ○Loop 16835 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7 | 0.03 | 0.06 | 0.01 | 52 | 0.02 | 0.01 | 1424.89 | |||
| ○Loop 16827 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 1053.64 | |||
| ○Loop 16826 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | 578.01 | |||
| ○Loop 16834 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | 2255.15 | |||
| ○Loop 16829 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 1010.76 | |||
| ○Loop 16825 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16832 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 16819 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16821 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16828 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16830 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16818 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16831 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16833 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16823 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_dft_avx2_ownscDftFwd_Prime8_32fc | libmkl_avx2.so.2 | 0.37 | 0.36 | 0.21 | 52 | 0.12 | 0.06 | Math (%): 100.00 | 897.40 | |
| ►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies() | libgromacs_mpi.so.7 | 0.35 | 0.43 | 0.19 | 52 | 0.20 | 0.11 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 5340 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...] | 0.33 | 0.43 | 0.18 | 52 | 0.20 | 0.11 | 0.00 | |||
| ○Loop 5339 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 31 | 0.01 | 0.01 | 0.00 | |||
| ○Loop 5332 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5338 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5337 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5331 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5335 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5330 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5329 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5336 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5333 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5334 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 0.35 | 1.97 | 0.2 | 52 | 0.74 | 0.40 | OMP (%): 100.00 | 50.44 | |
| ○(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*,... | libgromacs_mpi.so.7 | 0.24 | 0.21 | 0.13 | 52 | 0.07 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 866.01 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○mkl_dft_avx2_ownscDftFwd_Fact4_32fc | libmkl_avx2.so.2 | 0.24 | 0.25 | 0.13 | 52 | 0.09 | 0.05 | Math (%): 100.00 | 916.39 | |
| ►void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | libgromacs_mpi.so.7 | 0.23 | 0.25 | 0.13 | 52 | 0.07 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 441.50 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16514 - pairs.cpp:863-884 - libgromacs_mpi.so.7 [...] | 0.23 | 0.25 | 0.13 | 52 | 0.07 | 0.04 | 441.26 | |||
| ►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*) | libgromacs_mpi.so.7 | 0.21 | 0.25 | 0.12 | 52 | 0.08 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 163.14 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 5599 - pbc.cpp:939-941 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5603 - pbc.cpp:860-862 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5606 - pbc.cpp:852-854 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5600 - pbc.cpp:947-949 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 5594 - pbc.cpp:823-1006 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5595 - pbc.cpp:993-997 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5597 - pbc.cpp:993-997 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5596 - pbc.cpp:993-997 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5601 - pbc.cpp:939-941 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5604 - pbc.cpp:852-854 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5598 - pbc.cpp:947-949 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5602 - pbc.cpp:899-903 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5605 - pbc.cpp:860-862 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_dft_avx2_ippsDFTFwd_RToCCS_32f | libmkl_avx2.so.2 | 0.2 | 0.2 | 0.11 | 52 | 0.08 | 0.04 | Math (%): 100.00 | 79.80 | |
| ►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,... | libgromacs_mpi.so.7 | 0.18 | 0.19 | 0.1 | 52 | 0.07 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 979.22 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16292 - bonded.cpp:2066-2126 - libgromacs_mpi.so.7 [...] | 0.18 | 0.19 | 0.1 | 52 | 0.07 | 0.04 | 977.60 | |||
| ○mkl_dft_avx2_ownscDftInv_Fact3_32fc | libmkl_avx2.so.2 | 0.18 | 0.16 | 0.1 | 52 | 0.05 | 0.03 | Math (%): 100.00 | 527.74 | |
| ○mkl_dft_avx2_ownscDftFwd_Fact3_32fc | libmkl_avx2.so.2 | 0.17 | 0.15 | 0.09 | 52 | 0.05 | 0.03 | Math (%): 100.00 | 821.86 | |
| ○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296 | libgromacs_mpi.so.7 | 0.17 | 0.15 | 0.09 | 52 | 0.06 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 1294.17 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○mkl_dft_avx2_ipps_cFFTinv_64_32fc | libmkl_avx2.so.2 | 0.14 | 0.14 | 0.07 | 52 | 0.05 | 0.03 | Math (%): 100.00 | 1144.35 | |
| ○mkl_dft_avx2_owns_cCcsRecombine_32f | libmkl_avx2.so.2 | 0.14 | 0.15 | 0.08 | 52 | 0.06 | 0.03 | Math (%): 100.00 | 845.20 | |
| ○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libiomp5.so | 0.14 | 0.26 | 0.08 | 52 | 0.09 | 0.05 | OMP (%): 100.00 | 12.89 | |
| ○__kmp_launch_thread | libiomp5.so | 0.12 | 0.14 | 0.07 | 51 | 0.06 | 0.03 | OMP (%): 100.00 | 2.14 | |
| ►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted] | libgromacs_mpi.so.7 | 0.11 | 0.14 | 0.06 | 52 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 61.83 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2321 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 2324 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...] | 0.11 | 0.14 | 0.06 | 52 | 0.04 | 0.02 | 61.79 | |||
| ○Loop 2322 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2323 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*) | libiomp5.so | 0.1 | 0.06 | 0.06 | 51 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○DftiComputeBackward | libmkl_intel_lp64.so.2 | 0.08 | 0.07 | 0.04 | 52 | 0.03 | 0.01 | Math (%): 100.00 | 722.07 | |
| ►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted] | libgromacs_mpi.so.7 | 0.08 | 0.09 | 0.04 | 51 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16470 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16472 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16474 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16475 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...] | 0.08 | 0.09 | 0.04 | 51 | 0.04 | 0.02 | 0.00 | |||
| ○Loop 16476 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16471 - utilities.h:57-57 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16473 - manage_threading.cpp:351-365 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Unknown function | libgromacs_mpi.so.7 | 0.08 | 0.12 | 0.05 | 52 | 0.05 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 42.73 | |
| ○DftiComputeForward | libmkl_intel_lp64.so.2 | 0.08 | 0.09 | 0.05 | 52 | 0.03 | 0.02 | Math (%): 100.00 | 415.18 | |
| ►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted] | libgromacs_mpi.so.7 | 0.08 | 0.11 | 0.04 | 52 | 0.05 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16723 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16724 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16725 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7 | 0.07 | 0.11 | 0.04 | 50 | 0.05 | 0.03 | 0.00 | |||
| ○Loop 16726 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.7 | 0.07 | 0.11 | 0.04 | 52 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 146.91 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 52 | 0.03 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 167.84 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.7 | 0.06 | 0.06 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 176.34 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 197.21 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○__GI___sched_yield | libc-2.28.so | 0.06 | 0.06 | 0.03 | 52 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
| ►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.31] | libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 51 | 0.03 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16727 - pme_grid.cpp:512-522 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16728 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16730 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 51 | 0.03 | 0.02 | 0.00 | |||
| ○Loop 16729 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○__libm_atan2f_l9 | gmx_mpi | 0.05 | 0.09 | 0.03 | 52 | 0.03 | 0.02 | Math (%): 100.00 | 165.75 | |
| ►calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone .extracted] | libgromacs_mpi.so.7 | 0.05 | 0.06 | 0.03 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 362.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14816 - md_support.cpp:113-157 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14817 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...] | 0.05 | 0.06 | 0.03 | 52 | 0.02 | 0.01 | 361.84 | |||
| ►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo... | libgromacs_mpi.so.7 | 0.05 | 0.06 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 144.84 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16338 - vec.h:141-335 - libgromacs_mpi.so.7 [...] | 0.05 | 0.06 | 0.03 | 52 | 0.03 | 0.01 | 144.84 | |||
| ○mkl_dft_avx2_ownscDftFwd_PrimeFact_32fc | libmkl_avx2.so.2 | 0.05 | 0.05 | 0.03 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 694.47 | |
| ►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa... | libgromacs_mpi.so.7 | 0.05 | 0.06 | 0.03 | 52 | 0.03 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 118.54 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16347 - bonded.cpp:1913-2011 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 62.88 | |||
| ○Loop 16348 - bonded.cpp:1913-2008 - libgromacs_mpi.so.7 [...] | 0.04 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | 146.31 | |||
| ○mkl_dft_avx2_ownscDftInv_PrimeFact_32fc | libmkl_avx2.so.2 | 0.04 | 0.05 | 0.02 | 52 | 0.03 | 0.01 | Math (%): 100.00 | 746.13 | |
| ►void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:... | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | 51 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 4561 - localtopology.cpp:737-787 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 20 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4565 - stl_vector.h:296-1646 - libgromacs_mpi.so.7 [...] | 0.04 | 0.04 | 0.02 | 51 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 4566 - hashedmap.h:277-281 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4564 - stl_algo.h:118-132 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4562 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4563 - hashedmap.h:277-282 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○__libm_sincosf_e7 | gmx_mpi | 0.04 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | Exe (%): 100.00 | 213.00 | |
| ○__kmp_invoke_microtask | libiomp5.so | 0.04 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | OMP (%): 100.00 | 14.69 | |
| ►rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted] | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | 46 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 3942 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3944 - pairlist.cpp:3613-3728 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3945 - pairlist.cpp:3613-3728 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 3951 - vector.tcc:471-473 - libgromacs_mpi.so.7 [...] | 0.02 | 0.03 | 0.01 | 43 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 3953 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3952 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 3946 - vector.tcc:471-473 - libgromacs_mpi.so.7 [...] | 0.01 | 0.03 | 0.01 | 24 | 0.02 | 0.01 | 0.00 | |||
| ○Loop 3947 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3948 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3950 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3949 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3955 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3954 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3943 - pairlist.cpp:2891-2891 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○compute_1d_small_fwd | libmkl_avx2.so.2 | 0.03 | 0.11 | 0.02 | 52 | 0.04 | 0.02 | Math (%): 100.00 | 129.44 | |
| ►int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int... | libgromacs_mpi.so.7 | 0.03 | 0.05 | 0.02 | 42 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 4573 - hashedmap.h:274-281 - libgromacs_mpi.so.7 [...] | 0.02 | 0.04 | 0.01 | 32 | 0.02 | 0.01 | 0.00 | |||
| ►Loop 4576 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 24 | 0.01 | 0.01 | 0.00 | |||
| ○Loop 4577 - hashedmap.h:277-281 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4578 - hashedmap.h:277-281 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4575 - idef.h:245-247 - libgromacs_mpi.so.7 | 0 | 0.01 | 0 | 2 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 4574 - idef.h:245-247 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_serv_verbose_mode | libmkl_core.so.2 | 0.03 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 740.51 | |
| ○compute_1d_small_fwd | libmkl_avx2.so.2 | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 602.94 | |
| ○compute_1d_small_bwd | libmkl_avx2.so.2 | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 491.32 | |
| ►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted] | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.02 | 46 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 1.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14823 - mdatoms.cpp:327-497 - libgromacs_mpi.so.7 [...] | 0.03 | 0.04 | 0.01 | 46 | 0.02 | 0.01 | 2.25 | |||
| ○Loop 14822 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
| ►do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ... | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 280.63 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16513 - vec.h:141-345 - libgromacs_mpi.so.7 [...] | 0.03 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | 239.13 | |||
| ○Loop 16512 - vec.h:141-345 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○mkl_dft_avx2_ippsFFTFwd_RToPerm_32f | libmkl_avx2.so.2 | 0.03 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 84.75 | |
| ○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check() | libiomp5.so | 0.03 | 0.23 | 0.02 | 52 | 0.07 | 0.04 | OMP (%): 100.00 | 123.31 | |
| ○mkl_dft_avx2_ippsFFTInv_CCSToR_32f | libmkl_avx2.so.2 | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 516.01 | |
| ○mkl_dft_avx2_ippsDFTFwd_CToC_32fc | libmkl_avx2.so.2 | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 823.01 | |
| ►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 59.88 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 15062 - sim_util.cpp:149-150 - libgromacs_mpi.so.7 [...] | 0.02 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | 59.88 | |||
| ►gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 488.51 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16967 - fft.cpp:115-123 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | 406.63 | |||
| ►unwrap_periodic_pmegrid(gmx_pme_t*, float*) | libgromacs_mpi.so.7 | 0.02 | 0.65 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16704 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16705 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16707 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7 | 0.02 | 0.65 | 0.01 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16706 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 39 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 4414 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4415 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0.01 | 31 | 0.01 | 0.01 | 0.00 | |||
| ►Loop 4419 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 28 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 4420 - hashedmap.h:277-282 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4417 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4418 - hashedmap.h:277-282 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4416 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 418.51 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted.52] | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 40 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14769 - lincs.cpp:1636-1658 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14770 - stl_vector.h:296-1646 - libgromacs_mpi.so.7 [...] | 0.02 | 0.03 | 0.01 | 40 | 0.02 | 0.01 | 0.00 | |||
| ○__kmp_join_barrier(int) | libiomp5.so | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | OMP (%): 100.00 | 441.63 | |
| ○__libm_acosf_l9 | gmx_mpi | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 200.00 | |
| ○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 750.01 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 42 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14755 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14756 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 14765 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 14759 - stl_algo.h:1825-1866 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14760 - stl_algo.h:1828-1830 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14766 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14757 - stl_algobase.h:569-570 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14758 - stl_algo.h:1828-1830 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14763 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14764 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14761 - stl_algo.h:1828-1847 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14762 - stl_algo.h:1828-1830 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○compute_1d_small_bwd | libmkl_avx2.so.2 | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 697.38 | |
| ○mkl_dft_avx2_ippsDFTInv_CToC_32fc | libmkl_avx2.so.2 | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 635.13 | |
| ○__kmp_barrier | libiomp5.so | 0.02 | 0.06 | 0.01 | 52 | 0.02 | 0.01 | OMP (%): 100.00 | 222.00 | |
| ►gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, int, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, g... | libgromacs_mpi.so.7 | 0.02 | 0.48 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 4646 - hashedmap.h:130-296 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4648 - stl_vector.h:96-1660 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4732 - partition.cpp:447-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4655 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4677 - partition.cpp:3219-3233 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4679 - domdec_internal.h:253-255 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4678 - domdec_internal.h:253-255 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4656 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4650 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4684 - partition.cpp:1416-2185 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4683 - partition.cpp:1924-1926 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4685 - partition.cpp:1416-1422 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4687 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4686 - partition.cpp:1418-1422 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4649 - ga2la.h:156-158 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4651 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4729 - partition.cpp:1505-1515 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4730 - partition.cpp:1508-1515 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4665 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0.09 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4671 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4670 - partition.cpp:611-620 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4733 - partition.cpp:445-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4659 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4666 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...] | 0 | 0.06 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4676 - partition.cpp:3220-3241 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4658 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4718 - vector.tcc:608-752 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4705 - stl_algobase.h:322-548 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4710 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4708 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4717 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4706 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4725 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4709 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4711 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4716 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4721 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4712 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4726 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4714 - stl_algobase.h:547-548 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4715 - stl_algobase.h:547-548 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4723 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4707 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4724 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4713 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4722 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4719 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4720 - new_allocator.h:125-125 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4675 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4663 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...] | 0 | 0.07 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4669 - partition.cpp:447-465 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4653 - partition.cpp:2536-2536 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4654 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4661 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4681 - partition.cpp:2213-2217 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4664 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4674 - partition.cpp:551-565 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4667 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4680 - partition.cpp:3196-3198 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4644 - partition.cpp:2603-2607 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4645 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4652 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...] | 0 | 0.05 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4657 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...] | 0 | 0.05 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4682 - partition.cpp:2202-2204 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4731 - new_allocator.h:125-125 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4672 - ga2la.h:112-114 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4673 - hashedmap.h:277-282 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4688 - partition.cpp:1355-2178 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4689 - partition.cpp:1391-1406 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4691 - utility.h:89-96 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4690 - utility.h:89-89 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4692 - partition.cpp:1356-1382 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4698 - partition.cpp:1364-1368 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4693 - partition.cpp:1371-1382 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4695 - partition.cpp:1380-1382 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4694 - partition.cpp:1380-1382 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4696 - partition.cpp:1375-1377 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4697 - partition.cpp:1375-1377 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4703 - partition.cpp:2091-2095 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4702 - partition.cpp:2091-2095 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4699 - partition.cpp:2146-2160 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4701 - utility.h:89-96 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4700 - utility.h:89-89 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4704 - partition.cpp:1959-2063 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4727 - partition.cpp:1968-1984 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4728 - partition.cpp:1973-1981 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4668 - partition.cpp:2552-2557 - libgromacs_mpi.so.7 [...] | 0 | 0.02 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4662 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | 0 | 0.05 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4660 - partition.cpp:2517-2519 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4647 - hashedmap.h:290-293 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4756 - partition.cpp:445-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4763 - utility.h:89-96 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4762 - utility.h:89-89 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4759 - partition.cpp:465-467 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4765 - partition.cpp:927-931 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4758 - partition.cpp:465-467 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4760 - hashedmap.h:229-255 - libgromacs_mpi.so.7 [...] | 0 | 0.07 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4761 - hashedmap.h:232-255 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4766 - partition.cpp:662-913 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4783 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4782 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4771 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4785 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4767 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4770 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4768 - partition.cpp:871-874 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4776 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4775 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4777 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4778 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4774 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4780 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4772 - partition.cpp:871-890 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4779 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4784 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4773 - partition.cpp:871-894 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4781 - partition.cpp:871-899 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4769 - partition.cpp:871-906 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4754 - utility.h:89-96 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4753 - utility.h:89-89 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4752 - partition.cpp:722-729 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4734 - partition.cpp:445-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4737 - partition.cpp:171-380 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4751 - partition.cpp:186-198 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4738 - partition.cpp:174-380 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4746 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4742 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4739 - partition.cpp:371-375 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4747 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4741 - partition.cpp:347-351 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4745 - partition.cpp:272-272 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4748 - partition.cpp:272-295 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4740 - partition.cpp:357-359 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4743 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4744 - partition.cpp:306-339 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4749 - partition.cpp:174-247 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4750 - partition.cpp:243-247 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4757 - partition.cpp:465-467 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4736 - partition.cpp:421-431 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4755 - partition.cpp:445-447 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4764 - partition.cpp:1178-1182 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4735 - partition.cpp:150-163 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○__kmpc_for_static_init_4 | libiomp5.so | 0.02 | 0.02 | 0.01 | 43 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted] | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 447.13 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14134 - calcvir.cpp:61-120 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14135 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14132 - calcvir.cpp:61-120 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14133 - calcvir.cpp:61-67 - libgromacs_mpi.so.7 [...] | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | 447.01 | |||
| ►gmx::ThreadedForceBuffer<float [4]>::setupReduction() | libgromacs_mpi.so.7 | 0.01 | 0.21 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 5350 - threaded_force_buffer.cpp:257-261 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 5346 - new_allocator.h:111-136 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5349 - threaded_force_buffer.cpp:278-278 - libgromacs_mpi.so.7 [...] | 0.01 | 0.21 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5348 - threaded_force_buffer.cpp:290-292 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5347 - threaded_force_buffer.cpp:290-292 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 27.13 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16688 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 46 | 0.01 | 0.01 | 8.75 | |||
| ○Loop 16689 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16691 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16690 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*) | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.01 | 28 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 2403 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2404 - grid.cpp:476-483 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2409 - grid.cpp:911-915 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2407 - grid.cpp:921-923 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2408 - grid.cpp:921-923 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2406 - grid.cpp:504-511 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2398 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2399 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2410 - grid.cpp:911-915 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2411 - grid.cpp:911-915 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2412 - grid.cpp:816-889 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2415 - grid.cpp:823-834 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 21 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 2414 - grid.cpp:855-857 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2413 - grid.cpp:855-857 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2402 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2400 - grid.cpp:598-605 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2405 - grid.cpp:504-511 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2397 - grid.cpp:531-536 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2401 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 40 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14771 - lincs.cpp:1248-1353 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14772 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14773 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 38 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 14774 - lincs.cpp:1291-1324 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 28 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 4557 - localtopology.cpp:103-700 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 4558 - stl_algo.h:621-626 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
| ►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 35 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3.63 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 2421 - grid.cpp:415-420 - libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 2424 - grid.cpp:329-407 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 2426 - grid.cpp:397-400 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2425 - grid.cpp:385-387 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 2423 - grid.cpp:426-431 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2420 - grid.cpp:415-420 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2422 - grid.cpp:426-431 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○__kmp_invoke_task_func | libiomp5.so | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int) | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.01 | 35 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 5327 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.7 [...] | 0.01 | 0.03 | 0.01 | 34 | 0.01 | 0.01 | 0.00 | |||
| ○__libm_erfcf_ex | gmx_mpi | 0.01 | 0.24 | 0 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 0.00 | |
| ►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo... | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0 | 37 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16349 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7 [...] | 0.01 | 0.03 | 0 | 36 | 0.02 | 0.01 | 0.00 | |||
| ►nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_wallcycle*) [clone .... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2485 - kerneldispatch.cpp:114-373 - libgromacs_mpi.so.7 [...] | 0 | 0.02 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 2488 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2487 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2486 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2491 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2490 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2489 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*) | libgromacs_mpi.so.7 | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2443 - grid.cpp:1434-1441 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2444 - grid.cpp:1436-1438 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2433 - grid.cpp:707-712 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2436 - grid.cpp:1510-1512 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2434 - grid.cpp:1510-1512 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2445 - grid.cpp:1389-1412 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2446 - grid.cpp:1400-1402 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2439 - grid.cpp:1474-1476 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2442 - stl_vector.h:296-1656 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2435 - grid.cpp:1510-1512 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2431 - grid.cpp:745-1389 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2432 - grid.cpp:748-1389 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2437 - grid.cpp:672-697 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2438 - grid.cpp:678-678 - libgromacs_mpi.so.7 [...] | 0 | 0.03 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2440 - grid.cpp:1474-1476 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2441 - grid.cpp:1462-1466 - libgromacs_mpi.so.7 [...] | 0 | 0.12 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○__kmp_finish_implicit_task | libiomp5.so | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○__kmpc_for_static_fini | libiomp5.so | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto... | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 27 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►calcBondedForces(InteractionDefinitions const&, bonded_threading_t*, float const (*) [3], t_forcerec const*, t_pbc const*, float (*) [3], gmx_enerdata_t*, t_nrnb*, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, t_mdatoms const*, t_fcdata... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 151.50 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 16449 - listed_forces.cpp:385-445 - libgromacs_mpi.so.7 [...] | 0 | 0.02 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
| ►Loop 16451 - utilities.h:56-57 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 16450 - utilities.h:56-57 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ►dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 30 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 4854 - redistribute.cpp:543-548 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4848 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4849 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4850 - vec.h:141-198 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 23 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4852 - redistribute.cpp:414-414 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4853 - redistribute.cpp:358-360 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4851 - redistribute.cpp:419-419 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4855 - redistribute.cpp:74-532 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4857 - vec.h:141-199 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4860 - redistribute.cpp:481-483 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4858 - redistribute.cpp:521-521 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4859 - redistribute.cpp:517-517 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4856 - redistribute.cpp:74-306 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 25 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○_intel_fast_memcpy | gmx_mpi | 0.01 | 0.01 | 0 | 46 | 0.01 | 0.00 | Memory (%): 100.00 | 0.00 | |
| ○__libm_exp_l9 | gmx_mpi | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | Math (%): 100.00 | 0.00 | |
| ►atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*) | libgromacs_mpi.so.7 | 0.01 | 0.23 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 4395 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...] | 0 | 0.07 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 4397 - ga2la.h:112-126 - libgromacs_mpi.so.7 [...] | 0.01 | 0.15 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4398 - hashedmap.h:277-282 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 4396 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 154.63 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16968 - fft.cpp:132-140 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | 0.00 | |||
| ○__memcpy_avx_unaligned_erms | libc-2.28.so | 0.01 | 0.22 | 0 | 1 | 0.00 | 0.00 | Memory (%): 100.00 | 0.00 | |
| ○__kmp_yield | libiomp5.so | 0.01 | 0.03 | 0.01 | 38 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ○mkl_dft_avx2_ippsDFTInv_CCSToR_32f | libmkl_avx2.so.2 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 403.38 | |
| ►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) | libgromacs_mpi.so.7 | 0.01 | 0.33 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16463 - manage_threading.cpp:91-99 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16465 - manage_threading.cpp:99-292 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16464 - utilities.h:57-57 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16466 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16468 - manage_threading.cpp:260-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16469 - manage_threading.cpp:270-274 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16467 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16454 - manage_threading.cpp:306-408 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16456 - manage_threading.cpp:313-318 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16455 - manage_threading.cpp:313-318 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16453 - utilities.h:57-57 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16457 - manage_threading.cpp:114-177 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 16460 - manage_threading.cpp:125-162 - libgromacs_mpi.so.7 [...] | 0.01 | 0.15 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16461 - manage_threading.cpp:144-146 - libgromacs_mpi.so.7 | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16462 - manage_threading.cpp:144-146 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16459 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 16458 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►nbnxn_atomdata_copy_x_to_nbat_x(Nbnxm::GridSet const&, gmx::AtomLocality, float const (*) [3], nbnxn_atomdata_t*) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 31 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2318 - atomdata.cpp:993-1015 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2319 - atomdata.cpp:998-1015 - libgromacs_mpi.so.7 [...] | 0 | 0.01 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2320 - atomdata.cpp:1006-1015 - libgromacs_mpi.so.7 [...] | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
| ○__kmpc_masked | libiomp5.so | 0.01 | 0.02 | 0.01 | 25 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ►set_pbc_simd(t_pbc const*, float*) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 5665 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 13 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 5666 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 46 | 0.00 | 0.00 | 0.00 | |||
| ○clearRVecs(gmx::ArrayRef<gmx::BasicVector<float> >, bool) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 23 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 36 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 3977 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 36 | 0.01 | 0.00 | 0.00 | |||
| ○Loop 3976 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3980 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3974 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3981 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3979 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3975 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 3978 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○__kmpc_barrier | libiomp5.so | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*... | libgromacs_mpi.so.7 | 0.01 | 0.07 | 0.01 | 45 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 814.64 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 16293 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...] | 0.01 | 0.07 | 0.01 | 45 | 0.03 | 0.01 | 812.14 | |||
| ►Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>) | libgromacs_mpi.so.7 | 0.01 | 0.03 | 0.01 | 27 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2416 - grid.cpp:1032-1093 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2419 - grid.cpp:1068-1087 - libgromacs_mpi.so.7 [...] | 0.01 | 0.03 | 0.01 | 26 | 0.01 | 0.01 | 0.00 | |||
| ○Loop 2418 - grid.cpp:1091-1093 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2417 - grid.cpp:1091-1093 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○mkl_dft_avx2_transfer_ipp_mkl_error | libmkl_avx2.so.2 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
| ►gmx::lincs_thread_setup(gmx::Lincs*, int) [clone .extracted] | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 19 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 14767 - lincs.cpp:1695-1715 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14768 - lincs.cpp:1705-1715 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 19 | 0.01 | 0.01 | 0.00 | |||
| ►gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 33 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 14176 - constr.cpp:587-607 - libgromacs_mpi.so.7 [...] | 0.01 | 0.02 | 0 | 30 | 0.01 | 0.01 | 0.00 | |||
| ►nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef<int const>, gmx::ArrayRef<float const>, gmx::ArrayRef<long const>) | libgromacs_mpi.so.7 | 0.01 | 0.14 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ►Loop 2308 - atomdata.cpp:125-715 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2309 - stl_vector.h:826-826 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2310 - atomdata.cpp:130-132 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2312 - atomdata.cpp:125-127 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2311 - atomdata.cpp:130-132 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2313 - atomdata.cpp:125-127 - libgromacs_mpi.so.7 | 0 | 0.02 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2302 - atomdata.cpp:774-809 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2303 - atomdata.cpp:801-803 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2301 - atomdata.cpp:774-777 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2306 - atomdata.cpp:786-788 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2305 - atomdata.cpp:792-794 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2304 - atomdata.cpp:801-803 - libgromacs_mpi.so.7 | 0 | 0.03 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2307 - atomdata.cpp:786-788 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2288 - atomdata.cpp:871-918 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2289 - atomdata.cpp:871-918 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2290 - atomdata.cpp:871-883 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2297 - atomdata.cpp:832-853 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2298 - atomdata.cpp:839-853 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2299 - atomdata.cpp:845-853 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2300 - atomdata.cpp:845-853 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2291 - atomdata.cpp:685-738 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 2292 - atomdata.cpp:685-738 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2296 - atomdata.cpp:685-691 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2294 - atomdata.cpp:685-691 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2293 - atomdata.cpp:685-691 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 2295 - atomdata.cpp:685-691 - libgromacs_mpi.so.7 | 0 | 0.09 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) | libgromacs_mpi.so.7 | 0.01 | 0.15 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |
| ○Loop 14699 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14691 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14686 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14679 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14680 - stl_uninitialized.h:350-350 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14677 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14692 - stl_uninitialized.h:350-350 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14689 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14674 - lincs.cpp:2079-2081 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14662 - lincs.cpp:2229-2231 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14690 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14685 - stl_algobase.h:547-548 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14661 - lincs.cpp:2229-2231 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14676 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14682 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14683 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14678 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14698 - stl_uninitialized.h:82-82 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14695 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14688 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14700 - stl_vector.h:1386-1660 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14681 - stl_uninitialized.h:350-350 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14693 - stl_uninitialized.h:350-350 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14687 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14684 - stl_algobase.h:547-548 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14663 - lincs.cpp:1773-2181 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14665 - lincs.cpp:1773-2151 - libgromacs_mpi.so.7 [...] | 0.01 | 0.15 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
| ►Loop 14666 - lincs.cpp:1874-1981 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14667 - lincs.cpp:1895-1899 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14668 - lincs.cpp:1895-1981 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14669 - lincs.cpp:1884-1888 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14670 - lincs.cpp:1884-1981 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14671 - lincs.cpp:1851-1869 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14673 - lincs.cpp:1776-1828 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14672 - lincs.cpp:1776-1828 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14664 - lincs.cpp:2166-2172 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14697 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14694 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14696 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○Loop 14675 - lincs.cpp:2079-2081 - libgromacs_mpi.so.7 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
| ○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7 | 0.01 | 0.35 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icx-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 116.63 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2022.4/build/src/include -I /ccc/work/cont001/ocre... |