| 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 | 36.32 | 16.78 | 18.22 | 52 | 1.83 | 0.41 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3231.69 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 1014 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+ | | 0.74 | 0.6 | 0.37 | 52 | 0.20 | 0.08 | | 3195.06 | |
| ○Loop 1019 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...] | | 23.51 | 13.4 | 11.8 | 52 | 6.66 | 2.66 | | 3278.30 | |
| ○Loop 1017 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...] | | 9.43 | 10.56 | 4.73 | 52 | 6.57 | 2.96 | | 3129.79 | |
| ○Loop 1020 - kernel_outer.h:584-587 - libgromacs_mpi.so.7 [...] | | 1.02 | 0.61 | 0.51 | 52 | 0.28 | 0.11 | | 3360.28 | |
| ○Loop 1018 - kernel_outer.h:602-605 - libgromacs_mpi.so.7 [...] | | 0.9 | 0.99 | 0.45 | 52 | 0.63 | 0.28 | | 3298.69 | |
| ○Loop 1015 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...] | | 0.63 | 0.5 | 0.32 | 52 | 0.31 | 0.13 | | 2817.20 | |
| ○Loop 1016 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...] | | 0.08 | 0.07 | 0.04 | 51 | 0.04 | 0.02 | | 2790.63 | |
| ►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+ | libgromacs_mpi.so.7 | 6.79 | 4.39 | 3.41 | 52 | 1.16 | 0.57 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.37 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 23094 - fft5d.cpp:786-1420 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | | 50.50 | |
| ○Loop 23118 - fft5d.cpp:791-793 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23104 - fft5d.cpp:835-886 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 11 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23105 - fft5d.cpp:835-886 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 21 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 23106 - fft5d.cpp:835-886 - libgromacs_mpi.so.7 [...]+ | | 0.08 | 0.07 | 0.04 | 50 | 0.04 | 0.02 | | 0.00 | |
| ○Loop 23109 - fft5d.cpp:884-886 - libgromacs_mpi.so.7 | | 6.06 | 3.92 | 3.04 | 52 | 1.15 | 0.56 | | 0.00 | |
| ○Loop 23108 - fft5d.cpp:884-886 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0.01 | 30 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 23107 - fft5d.cpp:884-886 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23099 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23100 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23102 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23101 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23119 - fft5d.cpp:786-1120 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23120 - fft5d.cpp:810-1120 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23121 - fft5d.cpp:814-820 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23122 - fft5d.cpp:818-820 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23123 - fft5d.cpp:814-820 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23110 - fft5d.cpp:920-922 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23111 - fft5d.cpp:899-949 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 6 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 23112 - fft5d.cpp:899-949 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 15 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23113 - fft5d.cpp:899-949 - libgromacs_mpi.so.7 [...]+ | | 0.05 | 0.04 | 0.02 | 50 | 0.02 | 0.01 | | 0.00 | |
| ○Loop 23116 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | | 0.55 | 0.37 | 0.28 | 52 | 0.12 | 0.05 | | 0.00 | |
| ○Loop 23115 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 11 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23114 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23117 - fft5d.cpp:947-949 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 14 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 23103 - fft5d.cpp:856-858 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23124 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23125 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23127 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23126 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23128 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23129 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23131 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23130 - fft5d.cpp:1102-1104 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23095 - fft5d.cpp:1095-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23096 - fft5d.cpp:1097-1111 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23098 - fft5d.cpp:1100-1109 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23097 - fft5d.cpp:1102-1104 - 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 | 5.79 | 2.9 | 2.91 | 52 | 0.36 | 0.11 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3509.36 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 1021 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+ | | 0.12 | 0.13 | 0.06 | 52 | 0.05 | 0.02 | | 3510.06 | |
| ○Loop 1026 - kernel_outer.h:590-590 - libgromacs_mpi.so.7 [...] | | 3.71 | 2.17 | 1.86 | 52 | 1.06 | 0.43 | | 3567.91 | |
| ○Loop 1024 - kernel_outer.h:608-608 - libgromacs_mpi.so.7 [...] | | 1.53 | 1.64 | 0.77 | 52 | 1.07 | 0.48 | | 3419.52 | |
| ○Loop 1027 - kernel_outer.h:584-587 - libgromacs_mpi.so.7 [...] | | 0.17 | 0.14 | 0.08 | 52 | 0.06 | 0.03 | | 3845.44 | |
| ○Loop 1025 - kernel_outer.h:602-605 - libgromacs_mpi.so.7 [...] | | 0.17 | 0.2 | 0.08 | 52 | 0.13 | 0.06 | | 3398.40 | |
| ○Loop 1022 - kernel_outer.h:624-624 - libgromacs_mpi.so.7 [...] | | 0.09 | 0.09 | 0.05 | 51 | 0.05 | 0.02 | | 2697.43 | |
| ○Loop 1023 - kernel_outer.h:618-621 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.01 | 50 | 0.01 | 0.01 | | 1784.02 | |
| ►void _INTERNALd02aa166::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)+ | libgromacs_mpi.so.7 | 3.79 | 2.42 | 1.9 | 52 | 1.02 | 0.46 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 2754 - kernel_common.cpp:54-78 - libgromacs_mpi.so.7 [...]+ | | 0.31 | 0.2 | 0.16 | 52 | 0.06 | 0.03 | | 0.00 | |
| ○Loop 2755 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 3.47 | 2.31 | 1.74 | 52 | 1.04 | 0.46 | | 0.00 | |
| ►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+ | libgromacs_mpi.so.7 | 3.69 | 2.32 | 1.85 | 52 | 1.11 | 0.51 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 717.47 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22650 - pme_gather.cpp:76-348 - libgromacs_mpi.so.7 [...]+ | | 1.2 | 0.82 | 0.6 | 52 | 0.38 | 0.17 | | 750.56 | |
| ○Loop 22649 - pme_gather.cpp:156-169 - libgromacs_mpi.so.7 [...] | | 2.49 | 1.71 | 1.25 | 52 | 0.80 | 0.36 | | 701.53 | |
| ►Loop 22652 - pme_gather.cpp:247-255 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22651 - pme_gather.cpp:253-255 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22654 - pme_gather.cpp:103-124 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22653 - pme_gather.cpp:109-124 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22658 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22656 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22657 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22655 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○fftwf_codelet_n1fv_15_avx | libfftw3f.so.3.5.5 | 3.41 | 1.81 | 1.71 | 52 | 0.42 | 0.19 | Math (%): 100.00 | 74.51 | |
| ►_INTERNALef3c2910::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)+ | libgromacs_mpi.so.7 | 3.22 | 1.89 | 1.62 | 52 | 0.50 | 0.23 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3.47 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 23015 - pme_spread.cpp:523-702 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 6 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23016 - pme_spread.cpp:523-702 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 12 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 23017 - pme_spread.cpp:523-702 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 23026 - pme_spread.cpp:585-641 - libgromacs_mpi.so.7 [...]+ | | 0.07 | 0.09 | 0.03 | 52 | 0.05 | 0.02 | | 4.63 | |
| ►Loop 23027 - pme_spread.cpp:585-641 - libgromacs_mpi.so.7 [...]+ | | 1.03 | 0.85 | 0.52 | 52 | 0.45 | 0.19 | | 3.08 | |
| ○Loop 23028 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | | 1.6 | 1.44 | 0.8 | 52 | 0.55 | 0.26 | | 3.11 | |
| ○Loop 23030 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | | 0.44 | 0.32 | 0.22 | 52 | 0.14 | 0.06 | | 5.23 | |
| ○Loop 23029 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | | 0.06 | 0.17 | 0.03 | 50 | 0.06 | 0.03 | | 7.17 | |
| ○Loop 23032 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23031 - pme_spread.cpp:639-641 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23018 - pme_spread.cpp:683-702 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23019 - pme_spread.cpp:685-702 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23022 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23024 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23021 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23023 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23020 - pme_spread.cpp:700-702 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23025 - pme_spread.cpp:693-695 - 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 | 2.51 | 1.2 | 1.26 | 51 | 0.21 | 0.10 | OMP (%): 100.00 | 0.00 | |
| ►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_910__par_region0_2_13+ | libgromacs_mpi.so.7 | 2.25 | 1.49 | 1.13 | 52 | 0.70 | 0.30 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 2.40 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 23002 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7 | | 2.19 | 1.47 | 1.1 | 52 | 0.69 | 0.30 | | 2.31 | |
| ○Loop 23003 - pme_spread.cpp:911-923 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 4 | 0.00 | 0.00 | | 0.00 | |
| ►__intel_avx_rep_memcpy+ | gmx_mpi | 2.05 | 1.13 | 1.03 | 52 | 0.28 | 0.14 | Memory (%): 100.00 | 2.34 | |
| ○Loop 73 - - gmx_mpi | | 0.97 | 0.62 | 0.48 | 52 | 0.23 | 0.11 | | 2.85 | |
| ○Loop 72 - - gmx_mpi | | 0 | 0.02 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►L__ZN17_INTERNAL95fec57337nbnxn_atomdata_add_nbat_f_to_f_reduceEP16nbnxn_atomdata_ti_1188__par_region0_2_60+ | libgromacs_mpi.so.7 | 1.92 | 1.15 | 0.96 | 52 | 0.32 | 0.15 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 29.52 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 2247 - atomdata.cpp:1053-1221 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 14 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 2248 - atomdata.cpp:1053-1221 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | | 47.88 | |
| ○Loop 2250 - atomdata.cpp:1207-1211 - libgromacs_mpi.so.7 [...] | | 0.57 | 0.39 | 0.29 | 52 | 0.09 | 0.04 | | 34.43 | |
| ►Loop 2251 - atomdata.cpp:1119-1221 - libgromacs_mpi.so.7 [...]+ | | 0.23 | 0.31 | 0.12 | 48 | 0.19 | 0.08 | | 27.89 | |
| ○Loop 2252 - atomdata.cpp:1122-1221 - libgromacs_mpi.so.7 [...] | | 0.95 | 0.75 | 0.48 | 49 | 0.38 | 0.17 | | 25.61 | |
| ►Loop 2253 - atomdata.cpp:1106-1221 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.02 | 0 | 14 | 0.01 | 0.01 | | 0.00 | |
| ○Loop 2254 - atomdata.cpp:1109-1221 - libgromacs_mpi.so.7 [...] | | 0.14 | 0.61 | 0.07 | 22 | 0.44 | 0.19 | | 30.93 | |
| ○Loop 2249 - atomdata.cpp:1053-1055 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNALef3c2910::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+ | libgromacs_mpi.so.7 | 1.9 | 1.16 | 0.96 | 52 | 0.31 | 0.12 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 49.13 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 23004 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7 [...] | | 1.5 | 0.98 | 0.75 | 52 | 0.26 | 0.11 | | 62.06 | |
| ○Loop 23005 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7 | | 0.4 | 0.25 | 0.2 | 52 | 0.08 | 0.03 | | 2.81 | |
| ○Loop 23014 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 9 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23013 - pme_spread.cpp:104-133 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23012 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 17 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 23008 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23006 - pme_spread.cpp:165-167 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 13 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23007 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23011 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23010 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23009 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL661916bb::gmx::lincs_matrix_expand(_INTERNAL661916bb::gmx::Lincs const&, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<float>, _INTERNAL661916bb::gmx::Array...+ | libgromacs_mpi.so.7 | 1.64 | 1.07 | 0.82 | 52 | 0.48 | 0.23 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 50.59 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19725 - lincs.cpp:270-287 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 39 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 19726 - lincs.cpp:276-287 - libgromacs_mpi.so.7+ | | 0.72 | 0.6 | 0.36 | 52 | 0.30 | 0.13 | | 52.06 | |
| ○Loop 19727 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | | 0.91 | 0.66 | 0.46 | 52 | 0.26 | 0.12 | | 49.09 | |
| ○Loop 19729 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19728 - lincs.cpp:282-284 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19720 - lincs.cpp:320-340 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19721 - lincs.cpp:322-340 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19724 - lincs.cpp:332-336 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19723 - lincs.cpp:332-336 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19722 - lincs.cpp:332-336 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNALef3c2910::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+ | libgromacs_mpi.so.7 | 1.55 | 1.05 | 0.78 | 52 | 0.49 | 0.23 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 460.27 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 23046 - pme_spread.cpp:331-400 - libgromacs_mpi.so.7 [...]+ | | 1.55 | 1.05 | 0.78 | 52 | 0.49 | 0.23 | | 460.07 | |
| ►Loop 23048 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23047 - pme_spread.cpp:332-400 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23052 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23050 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23051 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23049 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23045 - pme_simd4.h:138-140 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23053 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23054 - pme_spread.cpp:351-353 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNALef3c2910::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+ | libgromacs_mpi.so.7 | 1.4 | 0.86 | 0.7 | 52 | 0.44 | 0.20 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 356.45 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 23034 - pme_spread.cpp:275-292 - libgromacs_mpi.so.7 [...]+ | | 1.4 | 0.86 | 0.7 | 52 | 0.44 | 0.20 | | 356.40 | |
| ○Loop 23033 - pme_spread.cpp:291-291 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23035 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23040 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23041 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23036 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23038 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23037 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 23042 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23043 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23044 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 23039 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○fftwf_codelet_n2bv_10_avx | libfftw3f.so.3.5.5 | 1.28 | 0.71 | 0.64 | 52 | 0.16 | 0.07 | Math (%): 100.00 | 170.20 | |
| ○fftwf_mkplan_dftw | libfftw3f.so.3.5.5 | 1.14 | 0.73 | 0.57 | 52 | 0.28 | 0.12 | Math (%): 100.00 | 216.87 | |
| ►__intel_avx_rep_memset+ | gmx_mpi | 1.06 | 1.16 | 0.53 | 52 | 0.58 | 0.27 | Memory (%): 100.00 | 3.61 | |
| ○Loop 74 - - gmx_mpi | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL661916bb::gmx::lincs_update_atoms_ind(_INTERNAL661916bb::gmx::ArrayRef<int const>, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb:...+ | libgromacs_mpi.so.7 | 0.98 | 0.63 | 0.49 | 52 | 0.21 | 0.09 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 70.85 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 19734 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.97 | 0.63 | 0.49 | 52 | 0.21 | 0.09 | | 70.68 | |
| ○Loop 19733 - iterator_interface.hpp:459-459 - 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 | 0.82 | 0.76 | 0.41 | 36 | 0.32 | 0.14 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 2237 - atomdata.cpp:226-236 - libgromacs_mpi.so.7 | | 0.79 | 0.74 | 0.4 | 36 | 0.32 | 0.14 | | 0.00 | |
| ○Loop 2236 - atomdata.cpp:226-236 - libgromacs_mpi.so.7 | | 0.03 | 0.04 | 0.02 | 35 | 0.02 | 0.01 | | 0.00 | |
| ○Loop 2233 - atomdata.cpp:172-176 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2231 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2234 - atomdata.cpp:172-182 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2232 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2238 - atomdata.cpp:207-217 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2240 - atomdata.cpp:193-203 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2228 - atomdata.cpp:154-158 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2227 - atomdata.cpp:161-165 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2226 - atomdata.cpp:161-163 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2229 - atomdata.cpp:154-163 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2225 - atomdata.cpp:161-165 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2239 - atomdata.cpp:193-203 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2230 - atomdata.cpp:180-184 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2224 - atomdata.cpp:256-256 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2235 - atomdata.cpp:240-250 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+ | libgromacs_mpi.so.7 | 0.79 | 0.43 | 0.4 | 52 | 0.10 | 0.05 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 2128.76 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 1497 - kernel_prune.cpp:76-176 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 1498 - kernel_prune.cpp:115-169 - libgromacs_mpi.so.7 [...] | | 0.78 | 0.42 | 0.39 | 52 | 0.11 | 0.05 | | 2154.87 | |
| ○void _INTERNALa35aedc8::gmx::__regcall3__gatherLoadUTranspose<3>(float const*, int const*, _INTERNALa35aedc8::gmx::SimdFloat*, _INTERNALa35aedc8::gmx::SimdFloat*, _INTERNALa35aedc8::gmx::SimdFloat*) | libgromacs_mpi.so.7 | 0.6 | 0.4 | 0.3 | 52 | 0.15 | 0.07 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 339.88 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○fftwf_codelet_hc2cfdftv_6_sse2 | libfftw3f.so.3.5.5 | 0.58 | 0.33 | 0.29 | 52 | 0.08 | 0.04 | Math (%): 100.00 | 86.01 | |
| ►L__ZN17_INTERNALd56b7fc33gmx12_GLOBAL__N_124reduceThreadForceBuffersIA4_fEEvNS0_8ArrayRefINS0_11BasicVectorIfEEEENS4_ISt10unique_ptrINS0_17ThreadForceBufferIT_EESt14default_deleteISB_EEEENS4_IKSt5arrayImLm2EEEENS4_IKiEE_170__par_region0_2_134+ | libgromacs_mpi.so.7 | 0.56 | 0.49 | 0.28 | 52 | 0.16 | 0.07 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 23.83 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 5821 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 42 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 5822 - threaded_force_buffer.cpp:182-187 - libgromacs_mpi.so.7 [...] | | 0.13 | 0.08 | 0.07 | 52 | 0.03 | 0.01 | | 24.46 | |
| ►Loop 5824 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7 [...]+ | | 0.12 | 0.11 | 0.06 | 52 | 0.06 | 0.02 | | 24.96 | |
| ○Loop 5825 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7 [...] | | 0.28 | 0.33 | 0.14 | 52 | 0.16 | 0.07 | | 23.03 | |
| ○Loop 5823 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.06 | 0.01 | 49 | 0.03 | 0.01 | | 17.38 | |
| ►L__ZN3gmx6Update4Impl13finish_updateERK10t_inputrecbiNS_8ArrayRefIKtEEP7t_stateP13gmx_wallcycleb_1637__par_region0_2_160+ | libgromacs_mpi.so.7 | 0.56 | 0.41 | 0.28 | 52 | 0.18 | 0.08 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20506 - update.cpp:1637-1641 - libgromacs_mpi.so.7 [...] | | 0.56 | 0.41 | 0.28 | 52 | 0.18 | 0.08 | | 0.00 | |
| ►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+ | libgromacs_mpi.so.7 | 0.51 | 0.4 | 0.26 | 52 | 0.17 | 0.07 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 434.68 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22146 - bonded.cpp:1151-1255 - libgromacs_mpi.so.7 [...] | | 0.51 | 0.4 | 0.25 | 52 | 0.18 | 0.07 | | 452.05 | |
| ○void __kmp_suspend_64<false, true>(int, kmp_flag_64<false, true>*) | libiomp5.so | 0.51 | 1.41 | 0.26 | 52 | 0.54 | 0.25 | OMP (%): 100.00 | 3.47 | |
| ►void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, false>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...+ | libgromacs_mpi.so.7 | 0.45 | 0.3 | 0.23 | 52 | 0.10 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 341.87 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20236 - settle.cpp:423-649 - libgromacs_mpi.so.7 [...] | | 0.45 | 0.3 | 0.23 | 52 | 0.10 | 0.04 | | 341.50 | |
| ►_INTERNALb629d8fd::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+ | libgromacs_mpi.so.7 | 0.43 | 0.28 | 0.22 | 52 | 0.07 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 222.40 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3305 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.7 [...] | | 0.28 | 0.16 | 0.14 | 52 | 0.05 | 0.02 | | 231.47 | |
| ○Loop 3304 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.7 [...] | | 0.07 | 0.06 | 0.04 | 52 | 0.03 | 0.01 | | 213.94 | |
| ○Loop 3303 - pairlist_simd_4xm.h:268-273 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | | 240.88 | |
| ►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+ | libgromacs_mpi.so.7 | 0.43 | 0.45 | 0.22 | 52 | 0.25 | 0.11 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 5943 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | | 0.01 | 0.01 | 0 | 28 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 5941 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 5945 - threaded_force_buffer.cpp:78-80 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 13 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 5944 - stl_algobase.h:695-695 - libgromacs_mpi.so.7 | | 0.42 | 0.44 | 0.21 | 52 | 0.26 | 0.11 | | 0.00 | |
| ○Loop 5938 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 5937 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5940 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5942 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5939 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL661916bb::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...+ | libgromacs_mpi.so.7 | 0.38 | 0.24 | 0.19 | 52 | 0.07 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 198.10 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 19735 - lincs.cpp:798-828 - libgromacs_mpi.so.7 [...] | | 0.38 | 0.24 | 0.19 | 52 | 0.07 | 0.03 | | 198.09 | |
| ►void _INTERNALb629d8fd::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...+ | libgromacs_mpi.so.7 | 0.38 | 0.22 | 0.19 | 52 | 0.06 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 232.98 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3286 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3285 - pairlist.cpp:1954-3518 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3274 - pairlist.cpp:1954-3514 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 37 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3273 - pairlist.cpp:1954-3512 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 42 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3275 - pairlist.cpp:1954-3507 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 3277 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 17 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3278 - pairlist.cpp:1954-3507 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 3279 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.01 | | 0.00 | |
| ►Loop 3280 - pairlist.cpp:2966-3474 - libgromacs_mpi.so.7 [...]+ | | 0.13 | 0.09 | 0.07 | 52 | 0.04 | 0.02 | | 221.25 | |
| ○Loop 3281 - pairlist.cpp:3407-3411 - libgromacs_mpi.so.7 | | 0.2 | 0.13 | 0.1 | 52 | 0.05 | 0.02 | | 217.90 | |
| ○Loop 3282 - pairlist.cpp:3392-3396 - libgromacs_mpi.so.7 | | 0.03 | 0.03 | 0.02 | 52 | 0.02 | 0.01 | | 186.63 | |
| ○Loop 3284 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3283 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3276 - pairlist.cpp:3181-3267 - libgromacs_mpi.so.7 [...] | | 0 | 0.02 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 3272 - pairlist.cpp:258-3133 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3287 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3271 - pairlist.cpp:3053-3053 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNALf921b9f2::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, float [3]>(int, int, float, gmx::ArrayRe...+ | libgromacs_mpi.so.7 | 0.38 | 0.28 | 0.19 | 52 | 0.11 | 0.05 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 188.83 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20503 - update.cpp:481-481 - libgromacs_mpi.so.7 [...] | | 0.38 | 0.27 | 0.19 | 52 | 0.11 | 0.05 | | 188.79 | |
| ►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+ | libgromacs_mpi.so.7 | 0.37 | 0.21 | 0.18 | 52 | 0.06 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 1508.77 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22904 - pme_solve.cpp:98-561 - libgromacs_mpi.so.7 [...]+ | | 0.06 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | | 1387.14 | |
| ○Loop 22910 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7 [...] | | 0.07 | 0.05 | 0.03 | 52 | 0.02 | 0.01 | | 1800.40 | |
| ○Loop 22906 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0.06 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | | 1796.77 | |
| ○Loop 22912 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | | 1391.64 | |
| ○Loop 22932 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7 | | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | | 1505.46 | |
| ○Loop 22933 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7 | | 0.03 | 0.03 | 0.02 | 52 | 0.02 | 0.01 | | 736.63 | |
| ○Loop 22916 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | | 1654.02 | |
| ○Loop 22920 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | | 632.13 | |
| ○Loop 22923 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 22918 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22907 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22911 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22927 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22917 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22909 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22929 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 49 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22914 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22922 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22905 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22921 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22928 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22915 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22931 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 50 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22930 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 52 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22908 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22926 - pme_solve.cpp:234-238 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 22913 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22925 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22919 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22924 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL661916bb::gmx::do_lincs(_INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::gmx::ArrayRefWithPadding<_INTERNAL661916bb::gmx::BasicVector<float> >, float const (*...+ | libgromacs_mpi.so.7 | 0.37 | 0.27 | 0.19 | 52 | 0.09 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 85.15 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19718 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7 [...]+ | | 0.07 | 0.06 | 0.04 | 52 | 0.03 | 0.01 | | 72.91 | |
| ○Loop 19719 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7 [...] | | 0.25 | 0.18 | 0.12 | 52 | 0.07 | 0.03 | | 91.50 | |
| ►Loop 19715 - lincs.cpp:1123-1173 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 32 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 19716 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | | 50.88 | |
| ○Loop 19714 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 19717 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 19710 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.00 | | 136.50 | |
| ○Loop 19712 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19713 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19711 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○fftwf_codelet_hc2cbdftv_2_sse2 | libfftw3f.so.3.5.5 | 0.36 | 0.22 | 0.18 | 52 | 0.07 | 0.03 | Math (%): 100.00 | 414.71 | |
| ○fftwf_codelet_n2fv_10_avx | libfftw3f.so.3.5.5 | 0.35 | 0.22 | 0.17 | 52 | 0.07 | 0.03 | Math (%): 100.00 | 654.45 | |
| ○_INTERNAL72b35b0f::(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... | libgromacs_mpi.so.7 | 0.35 | 0.24 | 0.17 | 52 | 0.07 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 730.61 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►L__Z14spread_on_gridPK9gmx_pme_tP11PmeAtomCommPK10pmegrids_tbbPfbi_1010__par_region4_2_15+ | libgromacs_mpi.so.7 | 0.34 | 0.27 | 0.17 | 52 | 0.08 | 0.04 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3.65 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22992 - pme_spread.cpp:186-990 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 22993 - pme_spread.cpp:438-990 - libgromacs_mpi.so.7 [...]+ | | 0.05 | 0.07 | 0.03 | 51 | 0.04 | 0.02 | | 0.92 | |
| ○Loop 22994 - pme_spread.cpp:441-445 - libgromacs_mpi.so.7 | | 0.1 | 0.09 | 0.05 | 52 | 0.04 | 0.02 | | 2.45 | |
| ○Loop 22995 - pme_spread.cpp:441-445 - libgromacs_mpi.so.7 | | 0.03 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | | 4.75 | |
| ►Loop 22996 - pme_spread.cpp:188-199 - libgromacs_mpi.so.7 [...]+ | | 0.04 | 0.04 | 0.02 | 49 | 0.02 | 0.01 | | 0.00 | |
| ○Loop 22997 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | | 0.05 | 0.05 | 0.02 | 51 | 0.02 | 0.01 | | 0.00 | |
| ○Loop 23000 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | | 0.04 | 0.05 | 0.02 | 45 | 0.03 | 0.01 | | 0.00 | |
| ○Loop 22998 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0 | 20 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 22999 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0.01 | 35 | 0.01 | 0.01 | | 0.00 | |
| ○Loop 23001 - pme_spread.cpp:1011-1015 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 2 | 0.01 | 0.00 | | 0.00 | |
| ○__pthread_cond_wait | libpthread-2.28.so | 0.31 | 0.83 | 0.16 | 52 | 0.23 | 0.11 | Pthread (%): 100.00 | 13.65 | |
| ○__condvar_dec_grefs | libpthread-2.28.so | 0.3 | 0.75 | 0.15 | 52 | 0.36 | 0.17 | Pthread (%): 100.00 | 0.00 | |
| ○fftwf_codelet_t2bv_4_avx | libfftw3f.so.3.5.5 | 0.3 | 0.29 | 0.15 | 52 | 0.12 | 0.05 | Math (%): 100.00 | 416.19 | |
| ○fftwf_codelet_n1bv_16_sse2 | libfftw3f.so.3.5.5 | 0.3 | 0.2 | 0.15 | 52 | 0.06 | 0.03 | Math (%): 100.00 | 349.72 | |
| ►void _INTERNAL251c4d10::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 | 0.29 | 0.21 | 0.15 | 52 | 0.07 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 380.67 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22435 - pairs.cpp:863-894 - libgromacs_mpi.so.7 [...] | | 0.29 | 0.21 | 0.15 | 52 | 0.07 | 0.03 | | 379.31 | |
| ○fftwf_codelet_t2fv_4_avx | libfftw3f.so.3.5.5 | 0.25 | 0.17 | 0.13 | 52 | 0.06 | 0.02 | Math (%): 100.00 | 683.70 | |
| ►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+ | libgromacs_mpi.so.7 | 0.24 | 0.19 | 0.12 | 52 | 0.07 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 121.75 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 6252 - pbc.cpp:989-1006 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 6251 - pbc.cpp:899-909 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○_INTERNAL8eaaea23::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*) | libiomp5.so | 0.23 | 0.65 | 0.12 | 52 | 0.24 | 0.12 | OMP (%): 100.00 | 5.02 | |
| ○_INTERNAL7abe0478::gmx::SimdFloat _INTERNAL7abe0478::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL7abe0478::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.21 | 0.14 | 0.11 | 52 | 0.06 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 1603.85 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►_INTERNAL661916bb::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)+ | libgromacs_mpi.so.7 | 0.21 | 0.18 | 0.11 | 52 | 0.08 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 193.20 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 19730 - lincs.cpp:919-931 - libgromacs_mpi.so.7 [...] | | 0.21 | 0.18 | 0.11 | 52 | 0.08 | 0.03 | | 193.10 | |
| ►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...+ | libgromacs_mpi.so.7 | 0.21 | 0.14 | 0.11 | 52 | 0.06 | 0.03 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 866.91 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22155 - bonded.cpp:2059-2126 - libgromacs_mpi.so.7 [...] | | 0.21 | 0.14 | 0.11 | 52 | 0.06 | 0.03 | | 865.42 | |
| ○__lll_unlock_wake | libpthread-2.28.so | 0.18 | 0.26 | 0.09 | 52 | 0.12 | 0.05 | Pthread (%): 100.00 | 0.00 | |
| ►L__ZN17_INTERNAL14e05f8917setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region0_2_145+ | libgromacs_mpi.so.7 | 0.18 | 0.13 | 0.09 | 52 | 0.06 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20303 - sim_util.cpp:473-473 - libgromacs_mpi.so.7 [...] | | 0.18 | 0.13 | 0.09 | 52 | 0.06 | 0.02 | | 0.00 | |
| ○_INTERNAL72b35b0f::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f... | libgromacs_mpi.so.7 | 0.18 | 0.13 | 0.09 | 52 | 0.06 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 1174.29 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○bool _INTERNAL8eaaea23::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 0.16 | 0.16 | 0.08 | 51 | 0.08 | 0.03 | OMP (%): 100.00 | 59.14 | |
| ►float _INTERNAL251c4d10::do_pairs_general<(BondedKernelFlavor)2>(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>, gm...+ | libgromacs_mpi.so.7 | 0.14 | 0.1 | 0.07 | 52 | 0.03 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 122.66 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22430 - pairs.cpp:125-824 - libgromacs_mpi.so.7 [...] | | 0.14 | 0.1 | 0.07 | 52 | 0.03 | 0.02 | | 122.61 | |
| ►_INTERNAL95fec573::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])+ | libgromacs_mpi.so.7 | 0.14 | 0.12 | 0.07 | 52 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 51.16 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 2245 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7 [...] | | 0.14 | 0.12 | 0.07 | 52 | 0.04 | 0.02 | | 51.02 | |
| ○Loop 2246 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2243 - atomdata.cpp:1182-1182 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2244 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...+ | libgromacs_mpi.so.7 | 0.14 | 0.11 | 0.07 | 52 | 0.05 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 101.64 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22218 - bonded.cpp:129-2011 - libgromacs_mpi.so.7 [...]+ | | 0.13 | 0.1 | 0.07 | 52 | 0.05 | 0.02 | | 96.41 | |
| ○Loop 22219 - bonded.cpp:1914-2008 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0 | 50 | 0.01 | 0.00 | | 0.00 | |
| ○_INTERNAL8eaaea23::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 0.13 | 0.27 | 0.06 | 52 | 0.17 | 0.08 | OMP (%): 100.00 | 67.58 | |
| ○_ZN17_INTERNAL8eaaea2326__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0.12 | 0.3 | 0.06 | 52 | 0.15 | 0.07 | OMP (%): 100.00 | 86.19 | |
| ○void _INTERNALe6eb7363::__kmp_resume_template<kmp_flag_64<false, true> >(int, kmp_flag_64<false, true>*) | libiomp5.so | 0.11 | 0.41 | 0.05 | 52 | 0.19 | 0.09 | OMP (%): 100.00 | 35.20 | |
| ►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+ | libgromacs_mpi.so.7 | 0.1 | 0.08 | 0.05 | 52 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22371 - manage_threading.cpp:336-397 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22370 - manage_threading.cpp:351-367 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 7 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22372 - manage_threading.cpp:363-367 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22373 - manage_threading.cpp:365-367 - libgromacs_mpi.so.7 [...] | | 0.1 | 0.08 | 0.05 | 52 | 0.04 | 0.02 | | 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 | 0.1 | 0.09 | 0.05 | 52 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 129.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○__pthread_mutex_cond_lock | libpthread-2.28.so | 0.1 | 0.2 | 0.05 | 50 | 0.08 | 0.04 | Pthread (%): 100.00 | 0.00 | |
| ○__pthread_cond_signal | libpthread-2.28.so | 0.1 | 0.23 | 0.05 | 52 | 0.14 | 0.07 | Pthread (%): 100.00 | 19.28 | |
| ○__pthread_mutex_unlock_usercnt | libpthread-2.28.so | 0.09 | 0.15 | 0.05 | 52 | 0.05 | 0.02 | Pthread (%): 100.00 | 7.25 | |
| ○Unknown function | libgromacs_mpi.so.7 | 0.09 | 0.09 | 0.04 | 52 | 0.05 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 17.63 | |
| ○__GI___pthread_mutex_unlock | libpthread-2.28.so | 0.08 | 0.12 | 0.04 | 51 | 0.04 | 0.02 | Pthread (%): 100.00 | 0.03 | |
| ►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+ | libgromacs_mpi.so.7 | 0.07 | 0.07 | 0.04 | 52 | 0.04 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 96.13 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22209 - bonded.cpp:445-1084 - libgromacs_mpi.so.7 [...] | | 0.07 | 0.07 | 0.03 | 52 | 0.03 | 0.01 | | 128.17 | |
| ►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+ | libgromacs_mpi.so.7 | 0.07 | 0.08 | 0.04 | 51 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22719 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22720 - pme_grid.cpp:496-504 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22721 - pme_grid.cpp:502-504 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22722 - pme_grid.cpp:500-504 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22711 - pme_grid.cpp:512-539 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 6 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22712 - pme_grid.cpp:518-539 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22714 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22713 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22715 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 3 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22716 - pme_grid.cpp:496-539 - libgromacs_mpi.so.7 [...]+ | | 0.03 | 0.04 | 0.02 | 46 | 0.02 | 0.01 | | 0.00 | |
| ○Loop 22717 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7 | | 0.03 | 0.05 | 0.02 | 48 | 0.03 | 0.01 | | 0.00 | |
| ○Loop 22718 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 7 | 0.00 | 0.00 | | 0.00 | |
| ►L__ZN17_INTERNAL7742301e19calc_ke_part_normalEN3gmx8ArrayRefIKNS0_11BasicVectorIfEEEEPK9t_grpoptsPK9t_mdatomsP14gmx_ekindata_tP6t_nrnbb_113__par_region0_2_15+ | libgromacs_mpi.so.7 | 0.07 | 0.06 | 0.04 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 309.75 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19830 - md_support.cpp:114-157 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 8 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19831 - md_support.cpp:139-157 - libgromacs_mpi.so.7 [...] | | 0.07 | 0.05 | 0.04 | 52 | 0.03 | 0.01 | | 309.47 | |
| ○Loop 19832 - md_support.cpp:132-132 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__libm_atan2f_l9 | libgromacs_mpi.so.7 | 0.07 | 0.07 | 0.04 | 52 | 0.04 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 132.50 | |
| ○__kmp_barrier | libiomp5.so | 0.07 | 0.07 | 0.04 | 52 | 0.03 | 0.01 | OMP (%): 100.00 | 69.03 | |
| ►void _INTERNALa35aedc8::gmx::settleTemplate<_INTERNALa35aedc8::gmx::SimdFloat, _INTERNALa35aedc8::gmx::SimdFBool, 8, float const*, true, true>(_INTERNALa35aedc8::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...+ | libgromacs_mpi.so.7 | 0.06 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 365.67 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20235 - settle.cpp:423-674 - libgromacs_mpi.so.7 [...] | | 0.05 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | | 363.88 | |
| ○__libm_sse2_sincosf | libgromacs_mpi.so.7 | 0.06 | 0.06 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 129.38 | |
| ○fftwf_mkplan_hc2c | libfftw3f.so.3.5.5 | 0.06 | 0.04 | 0.03 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 216.50 | |
| ►_INTERNALb629d8fd::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, nbnxn_ci_t const&, gmx::ListOfLists<int> const&)+ | libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 350.92 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 3314 - pairlist.cpp:607-1420 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.00 | | 195.38 | |
| ►Loop 3315 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+ | | 0.03 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | | 286.63 | |
| ○Loop 3316 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | | 225.38 | |
| ○Loop 3317 - pairlist.cpp:1252-1255 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 47 | 0.00 | 0.00 | | 0.00 | |
| ○void _INTERNAL72b35b0f::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.06 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 443.84 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►void _INTERNALd64f4cfb::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> &g...+ | libgromacs_mpi.so.7 | 0.06 | 0.07 | 0.03 | 50 | 0.03 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 4498 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4496 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4495 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+ | | 0.05 | 0.05 | 0.03 | 48 | 0.03 | 0.01 | | 0.00 | |
| ○Loop 4497 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4499 - new_allocator.h:101-136 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4489 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4490 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4491 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4492 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4493 - localtopology.cpp:731-787 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0.01 | 29 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 4494 - stl_algo.h:118-118 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check() | libiomp5.so | 0.06 | 0.26 | 0.03 | 52 | 0.11 | 0.05 | OMP (%): 100.00 | 52.92 | |
| ►_INTERNALf921b9f2::do_update_md(int, int, float, long, float const (*) [3], float (*) [3], float (*) [3], float const (*) [3], TemperatureCoupling, PressureCoupling, int, int, gmx::ArrayRef<unsigned short const>, bool, gmx::ArrayRef<unsigned short...+ | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 136.92 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20455 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0.05 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | | 136.63 | |
| ○Loop 20457 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 20456 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 20458 - update.cpp:361-387 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7 | 0.05 | 0.05 | 0.03 | 52 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 104.50 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►_INTERNALb629d8fd::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+ | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 319.25 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3294 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7 | | 0.02 | 0.03 | 0.01 | 52 | 0.01 | 0.01 | | 209.13 | |
| ○Loop 3293 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7 | | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 3291 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7 | | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 3295 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 4 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3296 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 48 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3297 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3292 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNALb629d8fd::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)+ | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 217.25 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3313 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○__GI___pthread_mutex_lock | libpthread-2.28.so | 0.04 | 0.09 | 0.02 | 52 | 0.04 | 0.02 | Pthread (%): 100.00 | 90.81 | |
| ►_Z8calc_viriPA3_KfS1_PA3_fbS1#omp_region_0+ | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 240.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 18946 - calcvir.cpp:57-120 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 18947 - calcvir.cpp:61-81 - libgromacs_mpi.so.7 [...] | | 0.04 | 0.05 | 0.02 | 52 | 0.02 | 0.01 | | 239.75 | |
| ○_INTERNALa35aedc8::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*) | libgromacs_mpi.so.7 | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 356.32 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○fftwf_codelet_r2cf_7 | libfftw3f.so.3.5.5 | 0.04 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 116.00 | |
| ►int _INTERNALd64f4cfb::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...+ | libgromacs_mpi.so.7 | 0.04 | 0.05 | 0.02 | 45 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 4523 - localtopology.cpp:416-576 - libgromacs_mpi.so.7 [...]+ | | 0.02 | 0.04 | 0.01 | 38 | 0.02 | 0.01 | | 0.00 | |
| ►Loop 4530 - localtopology.cpp:505-513 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0.01 | 32 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 4531 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4526 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 9 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4525 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4532 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4528 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4529 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4527 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4524 - idef.h:245-247 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0 | 9 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_suspend_initialize_thread | libiomp5.so | 0.04 | 0.08 | 0.02 | 52 | 0.04 | 0.02 | OMP (%): 100.00 | 87.38 | |
| ○__pthread_disable_asynccancel | libpthread-2.28.so | 0.03 | 0.1 | 0.01 | 43 | 0.03 | 0.02 | Pthread (%): 100.00 | 0.00 | |
| ►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+ | libgromacs_mpi.so.7 | 0.03 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 2.25 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19840 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19839 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19838 - mdatoms.cpp:328-497 - libgromacs_mpi.so.7 [...]+ | | 0.03 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | | 2.25 | |
| ○Loop 19841 - stl_vector.h:951-951 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►void _INTERNALb629d8fd::copySelectedListRange<false>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)+ | libgromacs_mpi.so.7 | 0.03 | 0.05 | 0.02 | 45 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 3452 - vector.tcc:426-473 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 4 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3453 - pairlist.cpp:3624-3626 - libgromacs_mpi.so.7 [...]+ | | 0.03 | 0.05 | 0.02 | 43 | 0.03 | 0.01 | | 0.00 | |
| ○Loop 3454 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3455 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3456 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3457 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmpc_barrier | libiomp5.so | 0.03 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | OMP (%): 100.00 | 125.25 | |
| ○__libm_acosf_l9 | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 95.63 | |
| ○fftwf_codelet_r2cfII_7 | libfftw3f.so.3.5.5 | 0.03 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 163.00 | |
| ○__kmp_invoke_microtask | libiomp5.so | 0.03 | 0.08 | 0.01 | 52 | 0.03 | 0.01 | OMP (%): 100.00 | 15.63 | |
| ○fftwf_rdft2_buffered_register | libfftw3f.so.3.5.5 | 0.03 | 0.03 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 157.25 | |
| ►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+ | libgromacs_mpi.so.7 | 0.03 | 0.05 | 0.01 | 42 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 5919 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.7 [...] | | 0.03 | 0.05 | 0.01 | 40 | 0.03 | 0.01 | | 0.00 | |
| ○Loop 5927 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5928 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5926 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5931 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5923 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5924 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5933 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5930 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5921 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5922 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5925 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5935 - stl_algobase.h:740-789 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5934 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5920 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5929 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5932 - stl_uninitialized.h:630-630 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ○fftwf_ct_genericbuf_register | libfftw3f.so.3.5.5 | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 279.82 | |
| ○__kmp_fork_barrier(int, int) | libiomp5.so | 0.03 | 0.03 | 0.01 | 51 | 0.02 | 0.01 | OMP (%): 100.00 | 35.25 | |
| ○fftwf_codelet_r2cb_3 | libfftw3f.so.3.5.5 | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 215.13 | |
| ►L__ZN17_INTERNAL14e05f8917setupForceOutputsEP18ForceHelperBuffersN3gmx19ArrayRefWithPaddingINS2_11BasicVectorIfEEEERKNS2_22DomainLifetimeWorkloadERKNS2_12StepWorkloadEbP13gmx_wallcycle_473__par_region4_2_147+ | libgromacs_mpi.so.7 | 0.03 | 0.04 | 0.01 | 44 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20301 - sim_util.cpp:473-473 - libgromacs_mpi.so.7 [...] | | 0.03 | 0.04 | 0.01 | 44 | 0.02 | 0.01 | | 0.00 | |
| ○__kmp_join_barrier(int) | libiomp5.so | 0.03 | 0.04 | 0.02 | 52 | 0.02 | 0.01 | OMP (%): 100.00 | 235.94 | |
| ○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0.03 | 0.07 | 0.02 | 51 | 0.04 | 0.02 | OMP (%): 100.00 | 4.00 | |
| ○fftwf_codelet_r2cbIII_3 | libfftw3f.so.3.5.5 | 0.02 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 250.38 | |
| ○void _INTERNAL72b35b0f::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat, _INTERNAL72b35b0f::gmx::SimdFloat) | libgromacs_mpi.so.7 | 0.02 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 661.63 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►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 | 0.02 | 0.03 | 0.01 | 38 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3498 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0.01 | 0.03 | 0.01 | 38 | 0.01 | 0.01 | | 0.00 | |
| ○Loop 3499 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3497 - stl_algobase.h:684-685 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3496 - stl_algobase.h:741-742 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+ | libgromacs_mpi.so.7 | 0.02 | 0.36 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 5973 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 5967 - vector.tcc:426-631 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5970 - vector.tcc:589-589 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5971 - stl_algobase.h:740-742 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 5965 - threaded_force_buffer.cpp:272-301 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5969 - threaded_force_buffer.cpp:278-280 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.29 | 0.01 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5966 - threaded_force_buffer.cpp:290-294 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5968 - threaded_force_buffer.cpp:278-280 - libgromacs_mpi.so.7 [...] | | 0 | 0.07 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 5972 - stl_algobase.h:740-789 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNALcfff3329::energyDrift(gmx::ArrayRef<VerletbufAtomtype const>, gmx_ffparams_t const*, float, pot_derivatives_t const*, pot_derivatives_t const*, pot_derivatives_t const*, float, float, float, float)+ | libgromacs_mpi.so.7 | 0.02 | 0.44 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 146.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 18871 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 18872 - calc_verletbuf.cpp:530-721 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.44 | 0.01 | 1 | 0.00 | 0.00 | | 146.00 | |
| ○__pthread_cleanup_pop | libpthread-2.28.so | 0.02 | 0.04 | 0.01 | 37 | 0.02 | 0.01 | Pthread (%): 100.00 | 0.00 | |
| ►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+ | libgromacs_mpi.so.7 | 0.02 | 0.06 | 0.01 | 50 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 895.14 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22156 - bonded.cpp:2179-2256 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.06 | 0.01 | 47 | 0.03 | 0.01 | | 889.51 | |
| ►_INTERNAL661916bb::gmx::set_matrix_indices(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task const&, _INTERNAL661916bb::gmx::ListOfLists<int> const&, bool)+ | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | 40 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19760 - lincs.cpp:1936-1962 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.01 | 0 | 21 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 19774 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0.01 | 33 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 19763 - stl_heap.h:342-346 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19766 - stl_iterator.h:806-988 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19767 - predefined_ops.h:90-90 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19761 - stl_iterator.h:806-988 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19762 - predefined_ops.h:90-90 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19770 - stl_algo.h:1920-1955 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19769 - stl_iterator.h:806-902 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19771 - predefined_ops.h:43-43 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19772 - predefined_ops.h:43-43 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19773 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 9 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19764 - stl_iterator.h:806-887 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19765 - predefined_ops.h:90-90 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19768 - stl_heap.h:251-405 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL115a3b1f::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_mdato...+ | libgromacs_mpi.so.7 | 0.02 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 139.88 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22360 - listed_forces.cpp:386-445 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22361 - listed_forces.cpp:386-445 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 21 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 22359 - listed_forces.cpp:419-445 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0.01 | 52 | 0.01 | 0.00 | | 135.00 | |
| ○fftwf_khc2c_register | libfftw3f.so.3.5.5 | 0.02 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 206.25 | |
| ►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 | 0.02 | 0.03 | 0.01 | 29 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 2607 - grid.cpp:921-923 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 4 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2606 - grid.cpp:504-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2600 - grid.cpp:598-605 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2605 - grid.cpp:504-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2601 - grid.cpp:531-538 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 4 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2602 - grid.cpp:531-538 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2608 - grid.cpp:911-915 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2599 - grid.cpp:598-605 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2597 - grid.cpp:476-483 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2603 - grid.cpp:531-538 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2604 - grid.cpp:504-511 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2598 - grid.cpp:633-633 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2596 - grid.cpp:476-483 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_launch_thread | libiomp5.so | 0.02 | 0.04 | 0.01 | 51 | 0.02 | 0.01 | OMP (%): 100.00 | 30.88 | |
| ►_INTERNALcd96ede4::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...+ | libgromacs_mpi.so.7 | 0.02 | 0.03 | 0.01 | 46 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 4263 - domdec_constraints.cpp:234-282 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.03 | 0.01 | 35 | 0.01 | 0.01 | | 0.00 | |
| ►Loop 4264 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 26 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 4273 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4269 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4266 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4270 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4274 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4267 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4271 - stl_vector.h:296-1646 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 2 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4272 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4268 - new_allocator.h:101-130 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 3 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4265 - vector.tcc:589-590 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL14e05f89::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...+ | libgromacs_mpi.so.7 | 0.02 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 37.13 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20295 - sim_util.cpp:150-150 - libgromacs_mpi.so.7 [...] | | 0.02 | 0.04 | 0.01 | 52 | 0.02 | 0.01 | | 37.13 | |
| ○Loop 20296 - sim_util.cpp:270-287 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_init_implicit_task | libiomp5.so | 0.02 | 0.04 | 0.01 | 41 | 0.02 | 0.01 | OMP (%): 100.00 | 0.13 | |
| ○fftwf_dft_conf_standard | libfftw3f.so.3.5.5 | 0.02 | 0.03 | 0.01 | 52 | 0.02 | 0.01 | Math (%): 100.00 | 420.13 | |
| ○__condvar_confirm_wakeup | libpthread-2.28.so | 0.02 | 0.03 | 0.01 | 38 | 0.01 | 0.01 | Pthread (%): 100.00 | 0.00 | |
| ►_INTERNAL661916bb::gmx::lincs_thread_setup(_INTERNAL661916bb::gmx::Lincs*, int)+ | libgromacs_mpi.so.7 | 0.02 | 0.11 | 0.01 | 38 | 0.03 | 0.02 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19749 - lincs.cpp:1696-1715 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19748 - stl_iterator.h:806-969 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0 | 17 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19747 - lincs.cpp:1696-1703 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19745 - lincs.cpp:1637-1658 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19746 - lincs.cpp:1652-1658 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.02 | 0 | 27 | 0.01 | 0.01 | | 0.00 | |
| ►Loop 19750 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19756 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0 | 0.07 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19751 - lincs.cpp:1729-1747 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19759 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0 | 0.03 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19753 - lincs.cpp:1683-1691 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19755 - lincs.cpp:1688-1691 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19754 - lincs.cpp:1688-1691 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19752 - stl_iterator.h:806-969 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 19757 - lincs.cpp:1624-1632 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 19758 - lincs.cpp:1629-1632 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○__kmpc_for_static_fini | libiomp5.so | 0.01 | 0.01 | 0.01 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 188.13 | |
| ►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 | 0.01 | 0.03 | 0.01 | 41 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3.50 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 20449 - update.cpp:1667-1667 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 20446 - update.cpp:932-1813 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 8 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 20447 - update.cpp:932-1813 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0 | 24 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 20448 - update.cpp:949-1697 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_resume_if_soft_paused | libiomp5.so | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ►L__ZN3gmx11Constraints4Impl5applyEbblifNS_19ArrayRefWithPaddingINS_11BasicVectorIfEEEES5_NS_8ArrayRefIS4_EEPA3_KffPfS5_bPA3_fNS_18ConstraintVariableE_587__par_region0_2_179+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 29 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 19023 - constr.cpp:588-607 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0 | 16 | 0.01 | 0.00 | | 0.00 | |
| ►set_pbc_simd(t_pbc const*, float*)+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 6320 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_lock_suspend_mx | libiomp5.so | 0.01 | 0.02 | 0 | 48 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○__libm_erfcf_ex | libgromacs_mpi.so.7 | 0.01 | 0.25 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 58.13 | |
| ►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 | 0.19 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 2575 - grid.cpp:1462-1466 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.18 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2573 - grid.cpp:707-712 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2579 - grid.cpp:1389-1412 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2580 - grid.cpp:1400-1402 - libgromacs_mpi.so.7 [...] | | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2576 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2577 - grid.cpp:1434-1441 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2578 - grid.cpp:1436-1439 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2572 - grid.cpp:707-712 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2574 - grid.cpp:1510-1512 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○fftwf_rdft2_solve | libfftw3f.so.3.5.5 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 0.00 | |
| ►_INTERNALbed727ba::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 | 36 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 3.63 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 2625 - grid.cpp:415-420 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0 | 29 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2624 - grid.cpp:426-431 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2623 - grid.cpp:437-437 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2622 - grid.cpp:329-437 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 22 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2626 - grid.cpp:385-389 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 9 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2627 - grid.cpp:397-402 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__GI___sched_yield | libc-2.28.so | 0.01 | 0.02 | 0.01 | 33 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
| ○_INTERNAL661916bb::gmx::lincs_update_atoms(_INTERNAL661916bb::gmx::Lincs*, int, float, _INTERNAL661916bb::gmx::ArrayRef<float const>, _INTERNAL661916bb::gmx::ArrayRef<_INTERNAL661916bb::gmx::BasicVector<float> const>, _INTERNAL661916bb::g... | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 49 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 12.25 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►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-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 22.38 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 22684 - pme_grid.cpp:395-418 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 16 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22686 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0.01 | 44 | 0.01 | 0.01 | | 6.38 | |
| ○Loop 22685 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_unlock_suspend_mx | libiomp5.so | 0.01 | 0.04 | 0.01 | 25 | 0.02 | 0.01 | OMP (%): 100.00 | 0.13 | |
| ○nral_rt(int) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 20 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►void _INTERNAL86d71067::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+ | libgromacs_mpi.so.7 | 0.01 | 0.34 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 4723 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.16 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4724 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○__libm_exp_l9 | libgromacs_mpi.so.7 | 0.01 | 0.19 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | |
| ►_INTERNALbed727ba::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 26 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 2609 - grid.cpp:816-868 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 6 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2614 - grid.cpp:823-834 - libgromacs_mpi.so.7 | | 0.01 | 0.02 | 0 | 13 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2611 - grid.cpp:855-857 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2612 - grid.cpp:851-853 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2613 - grid.cpp:851-853 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2610 - grid.cpp:855-857 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 5 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2615 - grid.cpp:825-825 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 13 | 0.00 | 0.00 | | 0.00 | |
| ►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNAL72b35b0f::(anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+ | libgromacs_mpi.so.7 | 0.01 | 0.05 | 0.01 | 35 | 0.03 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 88.75 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22220 - bonded.cpp:129-3032 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.05 | 0.01 | 35 | 0.03 | 0.01 | | 88.75 | |
| ○gmx::SettleData::hw3() const | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►_INTERNAL661916bb::gmx::set_lincs_matrix_task(_INTERNAL661916bb::gmx::Lincs*, _INTERNAL661916bb::gmx::Task*, _INTERNAL661916bb::gmx::ArrayRef<float const>, int*, int*)+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 42 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 19738 - lincs.cpp:1251-1324 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 3 | 0.01 | 0.00 | | 0.00 | |
| ►Loop 19739 - lincs.cpp:1255-1324 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.01 | 0 | 42 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 19740 - lincs.cpp:1291-1324 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○_intel_fast_memcpy | gmx_mpi | 0.01 | 0.02 | 0 | 45 | 0.01 | 0.00 | Memory (%): 100.00 | 0.00 | |
| ○fftwf_execute_dft | libfftw3f.so.3.5.5 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 0.00 | |
| ○fftwf_dft_solve | libfftw3f.so.3.5.5 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | Math (%): 100.00 | 354.50 | |
| ►void _INTERNALb629d8fd::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 31 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 3446 - pairlist.cpp:3612-3635 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 3 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 3447 - pairlist.cpp:3624-3635 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.02 | 0.01 | 29 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 3448 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3449 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3451 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3450 - stl_uninitialized.h:274-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmp_finish_implicit_task | libiomp5.so | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○__kmpc_master | libiomp5.so | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ○_INTERNAL661916bb::gmx::assign_constraint(_INTERNAL661916bb::gmx::Lincs*, int, int, int, float, float, _INTERNAL661916bb::gmx::ListOfLists<int> const&) | libgromacs_mpi.so.7 | 0.01 | 0.15 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►L__Z10gmx_pme_doP9gmx_pme_tN3gmx8ArrayRefIKNS1_11BasicVectorIfEEEENS2_IS4_EENS2_IKfEES9_S9_S9_S9_S9_PA3_S8_PK9t_commreciiP6t_nrnbP13gmx_wallcyclePA3_fSK_PfSL_ffSL_SL_RKNS1_12StepWorkloadE_1401__par_region1_2_104+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 52 | 0.01 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 116.88 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22532 - pme.cpp:1402-1411 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 26 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22527 - pme.cpp:1446-1677 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22526 - pme.cpp:1603-1675 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22528 - stl_vector.h:296-1660 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22529 - pme.cpp:1498-1500 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22525 - pme.cpp:1509-1562 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22530 - pme.cpp:1491-1493 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22524 - pme.cpp:1448-1449 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22523 - pme.cpp:1181-1184 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22531 - pme.cpp:1683-1698 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○_INTERNAL115a3b1f::(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef<int const>, int, WorkDivision const&, float const (*) [3], float (*) [4], float (*) [3], t_forcerec const*, t_pbc const*, gmx_grppa... | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○__kmp_invoke_task_func | libiomp5.so | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | OMP (%): 100.00 | 0.00 | |
| ►_INTERNALcd96ede4::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 | 0.33 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 4275 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.11 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4276 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.2 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4282 - hashedmap.h:277-282 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4281 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4280 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4278 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4279 - stl_algobase.h:752-754 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4277 - vector.tcc:589-590 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4283 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►float _INTERNAL72b35b0f::(anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*...+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0.01 | 50 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 161.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22159 - bonded.cpp:1822-2327 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.04 | 0 | 41 | 0.02 | 0.01 | | 0.00 | |
| ►void _INTERNALb629d8fd::get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3298 - pairlist.cpp:281-285 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 3299 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 49 | 0.00 | 0.00 | | 0.00 | |
| ►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 39 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 2636 - grid.cpp:1241-1311 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0 | 39 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2635 - grid.cpp:1241-1344 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2638 - grid.cpp:1259-1261 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2637 - grid.cpp:1259-1261 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○fftwf_cpy2d | libfftw3f.so.3.5.5 | 0.01 | 0.08 | 0 | 2 | 0.04 | 0.03 | Math (%): 100.00 | 0.00 | |
| ►_INTERNALb629d8fd::reduce_buffer_flags(gmx::ArrayRef<PairsearchWork>, int, gmx::ArrayRef<std::array<unsigned long, 2ul> >)+ | libgromacs_mpi.so.7 | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 3458 - pairlist.cpp:3539-3546 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 3459 - pairlist.cpp:3543-3546 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.17 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ►void std::vector<int, std::allocator<int> >::_M_range_insert<gmx::ArrayRefIter<int const> >(__gnu_cxx::__normal_iterator<int*, std::vector<int, std::allocator<int> > >, gmx::ArrayRefIter<int const>, gmx::Arra...+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 20 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 4592 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 5 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4589 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4590 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4593 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4591 - stl_algobase.h:322-324 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►_INTERNAL719fd497::calc_cg_move(_IO_FILE*, long, gmx_domdec_t*, t_state*, int const*, float (*) [3], float const*, float const*, MoveLimits const&, int, int, gmx::ArrayRef<int>)+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 4891 - redistribute.cpp:214-392 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4887 - redistribute.cpp:74-428 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 12 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 4886 - redistribute.cpp:349-421 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 4889 - redistribute.cpp:419-421 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4890 - redistribute.cpp:414-416 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 4888 - redistribute.cpp:74-312 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►L__Z31nbnxn_atomdata_copy_x_to_nbat_xRKN5Nbnxm7GridSetEN3gmx12AtomLocalityEPA3_KfP16nbnxn_atomdata_t_993__par_region0_2_54+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0.01 | 29 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 2221 - atomdata.cpp:994-1011 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2222 - atomdata.cpp:998-1011 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 4 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2223 - atomdata.cpp:1006-1011 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | | 0.00 | |
| ►__intel_avx_memmove+ | gmx_mpi | 0.01 | 0.23 | 0.01 | 1 | 0.00 | 0.00 | Memory (%): 100.00 | 0.00 | |
| ○Loop 89 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 114 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 128 - - gmx_mpi | | 0 | 0.04 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 127 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 118 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 129 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 110 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 105 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 108 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 104 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 137 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 142 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 107 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 100 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 130 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 133 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 79 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 102 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 136 - - gmx_mpi | | 0 | 0.04 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 93 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 116 - - gmx_mpi | | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 115 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 82 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 88 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 119 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 135 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 109 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 138 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 106 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 125 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 124 - - gmx_mpi | | 0 | 0.05 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 96 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 126 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 123 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 86 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 117 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 78 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 103 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 113 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 111 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 131 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 101 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 132 - - gmx_mpi | | 0 | 0.02 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 87 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 80 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 81 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 91 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 76 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 77 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 98 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 112 - - gmx_mpi | | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 120 - - gmx_mpi | | 0 | 0.02 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 121 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 90 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 83 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 84 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 92 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 95 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 99 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 122 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 139 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 75 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 97 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 140 - - gmx_mpi | | 0 | 0.04 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 85 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 94 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 141 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 134 - - gmx_mpi | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 4906 - reversetopology.cpp:140-147 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 12 | 0.00 | 0.00 | | 0.00 | |
| ►gmx::ThreadForceBuffer<float [4]>::processMask()+ | libgromacs_mpi.so.7 | 0.01 | 0.04 | 0 | 20 | 0.02 | 0.01 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 5936 - threaded_force_buffer.cpp:133-135 - libgromacs_mpi.so.7 [...] | | 0.01 | 0.04 | 0 | 20 | 0.02 | 0.01 | | 0.00 | |
| ►void _INTERNALb629d8fd::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+ | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 3289 - pairlist.cpp:281-285 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 3290 - pairlist.cpp:272-276 - libgromacs_mpi.so.7 | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ►_INTERNALf6247ebc::divide_bondeds_over_threads(bonded_threading_t*, bool, InteractionDefinitions const&)+ | libgromacs_mpi.so.7 | 0.01 | 0.26 | 0.01 | 1 | 0.00 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○Loop 22382 - manage_threading.cpp:91-96 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22384 - manage_threading.cpp:91-99 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22375 - manage_threading.cpp:306-320 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22376 - manage_threading.cpp:313-315 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22374 - manage_threading.cpp:195-292 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22385 - manage_threading.cpp:247-247 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22386 - manage_threading.cpp:260-274 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22387 - manage_threading.cpp:270-274 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22377 - manage_threading.cpp:86-177 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 22380 - manage_threading.cpp:127-170 - libgromacs_mpi.so.7 [...]+ | | 0.01 | 0.16 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22381 - manage_threading.cpp:144-146 - libgromacs_mpi.so.7 | | 0 | 0.1 | 0 | 1 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22378 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22379 - manage_threading.cpp:175-177 - libgromacs_mpi.so.7 [...] | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 22383 - manage_threading.cpp:91-96 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○gmx::SettleData::hw2() const | libgromacs_mpi.so.7 | 0.01 | 0.01 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ○__kmp_task_team_sync | libiomp5.so | 0.01 | 0.03 | 0.01 | 37 | 0.02 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ►L__ZN17_INTERNALce49b59116nbnxn_kernel_cpuERK11PairlistSetRKN5Nbnxm11KernelSetupEP16nbnxn_atomdata_tRK19interaction_const_tN3gmx8ArrayRefIKNSC_11BasicVectorIfEEEERKNSC_12StepWorkloadEiPfSL_P13gmx_wallcycle_265__par_region0_2_31+ | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
| ►Loop 2763 - kerneldispatch.cpp:104-375 - libgromacs_mpi.so.7 [...]+ | | 0 | 0.01 | 0 | 52 | 0.01 | 0.00 | | 0.00 | |
| ○Loop 2783 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2784 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2769 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2768 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2767 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 [...]+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2776 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2772 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2770 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2775 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2773 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2771 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2774 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2781 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2777 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2779 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2780 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2782 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2766 - kerneldispatch.cpp:114-126 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ►Loop 2765 - kerneldispatch.cpp:116-126 - libgromacs_mpi.so.7+ | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2764 - kerneldispatch.cpp:118-126 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○Loop 2778 - stl_algobase.h:695-696 - libgromacs_mpi.so.7 | | 0 | 0 | 0 | 0 | 0.00 | 0.00 | | 0.00 | |
| ○__kmpc_for_static_init_4u | libiomp5.so | 0.01 | 0.02 | 0.01 | 30 | 0.01 | 0.01 | OMP (%): 100.00 | 0.00 | |
| ○_INTERNALb629d8fd::makeClusterListWrapper(NbnxnPairlistCpu*, Nbnxm::Grid const&, int, Nbnxm::Grid const&, int, int, bool, nbnxn_atomdata_t const*, float, float, ClusterDistanceKernelType, int*) | libgromacs_mpi.so.7 | 0.01 | 0.02 | 0 | 52 | 0.01 | 0.00 | /ccc/work/cont001/ocre/oserete/gromacs-2022.4-install-icc-ompi/lib64/libgromacs_mpi.so.7 (%): 100.00 | 0.00 | Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000
Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 : /ccc/wor... |
