options

Functions and Loops

219 loops and 426 functions have been discarded from the report because their coverage is lower than the threshold set by object_coverage_threshold (0.01%). It represents about 0% of the application. To include them, change the value of object_coverage_threshold in the experiment directory configuration file, then rerun the command with the additionnal parameter --force-static-analysis

▼Colums Filter

Coverage 1x128 (%) Max Time Over Threads 1x128 (s) Time w.r.t. Wall Time 1x128 (s) Nb Threads 1x128 Deviation (coverage) 1x128 Deviation (walltime) 1x128 Categories 1x128 Compilation Options
NameModuleCoverage 1x128 (%)Max Time Over Threads 1x128 (s)Time w.r.t. Wall Time 1x128 (s)Nb Threads 1x128Deviation (coverage) 1x128Deviation (walltime) 1x128Categories 1x128Compilation Options
○bool _INTERNAL1311483b::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*)libiomp5.so31.5632.5211279.456.16OMP (%): 100.00
►void _INTERNAL9823e5c4::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)+libgromacs.so.88.648.945.751283.372.22libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 6782 - kernel_common.cpp:54-78 - libgromacs.so.8 [...]+0.280.30.191280.070.05
○Loop 6783 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]8.358.735.561283.342.20
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs.so.86.287.274.181282.851.87libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26612 - fft5d.cpp:755-1382 - libgromacs.so.8 [...]+0.010.020700.010.00
►Loop 26617 - fft5d.cpp:1064-1080 - libgromacs.so.8+00000.000.00
►Loop 26618 - fft5d.cpp:1066-1080 - libgromacs.so.8+00000.000.00
►Loop 26620 - fft5d.cpp:1069-1078 - libgromacs.so.8+00000.000.00
○Loop 26619 - fft5d.cpp:1071-1073 - libgromacs.so.800000.000.00
►Loop 26622 - fft5d.cpp:804-855 - libgromacs.so.8 [...]+00.030190.010.01
►Loop 26623 - fft5d.cpp:804-855 - libgromacs.so.8 [...]+0.010.040510.010.01
►Loop 26624 - fft5d.cpp:804-855 - libgromacs.so.8 [...]+0.040.10.021260.030.02
○Loop 26627 - fft5d.cpp:853-855 - libgromacs.so.867.043.991282.811.84
○Loop 26626 - fft5d.cpp:853-855 - libgromacs.so.80.020.070.01830.020.02
○Loop 26625 - fft5d.cpp:853-855 - libgromacs.so.800000.000.00
►Loop 26629 - fft5d.cpp:868-918 - libgromacs.so.8 [...]+00.010140.000.00
►Loop 26630 - fft5d.cpp:868-918 - libgromacs.so.8 [...]+00.010210.000.00
►Loop 26631 - fft5d.cpp:868-918 - libgromacs.so.8 [...]+0.010.030.01940.010.01
○Loop 26634 - fft5d.cpp:916-918 - libgromacs.so.80.190.20.131280.050.03
○Loop 26633 - fft5d.cpp:916-918 - libgromacs.so.800.01060.000.00
○Loop 26635 - fft5d.cpp:916-918 - libgromacs.so.800.010100.000.00
○Loop 26632 - fft5d.cpp:916-918 - libgromacs.so.800000.000.00
○Loop 26628 - fft5d.cpp:889-891 - libgromacs.so.800000.000.00
○Loop 26636 - fft5d.cpp:760-762 - libgromacs.so.800000.000.00
►Loop 26642 - fft5d.cpp:1064-1080 - libgromacs.so.8+00000.000.00
►Loop 26643 - fft5d.cpp:1066-1080 - libgromacs.so.8+00000.000.00
►Loop 26645 - fft5d.cpp:1069-1078 - libgromacs.so.8+00000.000.00
○Loop 26644 - fft5d.cpp:1071-1073 - libgromacs.so.800000.000.00
○Loop 26621 - fft5d.cpp:825-827 - libgromacs.so.800000.000.00
►Loop 26637 - fft5d.cpp:755-1089 - libgromacs.so.8 [...]+00000.000.00
►Loop 26638 - fft5d.cpp:779-1089 - libgromacs.so.8 [...]+00000.000.00
►Loop 26639 - fft5d.cpp:783-789 - libgromacs.so.8 [...]+00000.000.00
○Loop 26641 - fft5d.cpp:783-789 - libgromacs.so.800000.000.00
○Loop 26640 - fft5d.cpp:787-789 - libgromacs.so.800000.000.00
►Loop 26613 - fft5d.cpp:1064-1080 - libgromacs.so.8+00000.000.00
►Loop 26614 - fft5d.cpp:1066-1080 - libgromacs.so.8+00000.000.00
►Loop 26616 - fft5d.cpp:1069-1078 - libgromacs.so.8+00000.000.00
○Loop 26615 - fft5d.cpp:1071-1073 - libgromacs.so.800000.000.00
►Loop 26646 - fft5d.cpp:1064-1080 - libgromacs.so.8+00000.000.00
►Loop 26647 - fft5d.cpp:1066-1080 - libgromacs.so.8+00000.000.00
►Loop 26649 - fft5d.cpp:1069-1078 - libgromacs.so.8+00000.000.00
○Loop 26648 - fft5d.cpp:1071-1073 - libgromacs.so.800000.000.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs.so.85.083.863.381280.310.21libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 1727 - stl_iterator.h:806-887 - libgromacs.so.8 [...]+0.150.190.11280.050.03
○Loop 1732 - kernel_outer.h:431-431 - libgromacs.so.8 [...]3.33.092.21280.950.62
○Loop 1730 - kernel_outer.h:452-452 - libgromacs.so.8 [...]1.222.290.811280.980.65
○Loop 1733 - kernel_outer.h:423-426 - libgromacs.so.8 [...]0.150.180.11280.050.03
○Loop 1728 - kernel_outer.h:473-473 - libgromacs.so.8 [...]0.130.190.081100.070.04
○Loop 1731 - kernel_outer.h:444-447 - libgromacs.so.8 [...]0.120.240.081280.100.07
○Loop 1729 - kernel_outer.h:465-468 - libgromacs.so.8 [...]0.010.030.01940.010.01
○std::array<gmx::SimdFloat, 4> gmx::CoulombCalculator<(gmx::KernelCoulombType)1>::force<4>(std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std:...libgromacs.so.84.493.352.991280.210.14libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►nbnxn_atomdata_add_nbat_f_to_f_reduce#0xcc46d5+libgromacs.so.83.583.72.381281.490.98libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 6288 - atomdata.cpp:1022-1190 - libgromacs.so.8 [...]+00.01070.000.00
►Loop 6289 - atomdata.cpp:1022-1190 - libgromacs.so.8 [...]+0.010.020780.010.00
►Loop 6292 - atomdata.cpp:1088-1190 - libgromacs.so.8 [...]+0.320.820.211220.240.16
○Loop 6293 - atomdata.cpp:1091-1190 - libgromacs.so.8 [...]2.933.311.951251.360.89
○Loop 6291 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...]0.20.370.131280.070.05
○Loop 6290 - atomdata.cpp:1022-1024 - libgromacs.so.800000.000.00
►Loop 6294 - atomdata.cpp:1075-1190 - libgromacs.so.8 [...]+00.050190.020.02
○Loop 6295 - atomdata.cpp:1078-1190 - libgromacs.so.8 [...]0.121.250.08270.520.34
○fftwf_codelet_n1fv_16_sse2libfftw3f.so.3.5.53.153.052.11281.180.78Math (%): 100.00
►__intel_avx_rep_memcpy+gmx1.651.811.11280.720.47Memory (%): 100.00
○Loop 70 - - gmx0.941.130.621280.440.29
○Loop 69 - - gmx00.01010.000.00
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs.so.81.591.551.061280.450.30libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26128 - pme_gather.cpp:76-348 - libgromacs.so.8 [...]+0.380.560.251280.160.11
○Loop 26127 - pme_gather.cpp:156-169 - libgromacs.so.8 [...]1.211.180.811280.370.24
►Loop 26132 - pme_gather.cpp:103-124 - libgromacs.so.8+00000.000.00
►Loop 26131 - pme_gather.cpp:109-124 - libgromacs.so.8+00000.000.00
○Loop 26135 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
○Loop 26133 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
○Loop 26136 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
○Loop 26134 - pme_gather.cpp:116-120 - libgromacs.so.800000.000.00
►Loop 26130 - pme_gather.cpp:247-255 - libgromacs.so.8 [...]+00000.000.00
○Loop 26129 - pme_gather.cpp:253-255 - libgromacs.so.8 [...]00000.000.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs.so.81.51.2111280.100.07libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 1735 - kernel_outer.h:222-515 - libgromacs.so.8 [...]+0.030.050.021270.020.01
►Loop 1760 - kernel_outer.h:431-431 - libgromacs.so.8 [...]+0.60.590.41280.180.12
○Loop 1759 - kernel_inner.h:425-427 - libgromacs.so.8 [...]0.120.170.081280.050.03
○Loop 1757 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.10.130.071280.040.03
○Loop 1758 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.080.110.051280.030.02
○Loop 1756 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.050.060.031270.020.01
►Loop 1749 - kernel_outer.h:452-452 - libgromacs.so.8 [...]+0.130.280.091270.110.07
○Loop 1748 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.080.180.051240.070.05
○Loop 1746 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.070.140.041220.060.04
○Loop 1747 - kernel_inner.h:393-395 - libgromacs.so.8 [...]0.050.130.031130.050.03
○Loop 1745 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.050.130.041210.050.03
►Loop 1766 - kernel_outer.h:423-426 - libgromacs.so.8 [...]+0.030.070.021240.020.01
○Loop 1763 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.010.020740.010.00
○Loop 1762 - kernel_inner.h:323-326 - libgromacs.so.8 [...]00.010220.000.00
○Loop 1765 - kernel_inner.h:425-427 - libgromacs.so.8 [...]00.020530.000.00
○Loop 1761 - kernel_inner.h:293-295 - libgromacs.so.8 [...]00.010310.000.00
○Loop 1764 - kernel_inner.h:421-423 - libgromacs.so.8 [...]00.020500.000.00
►Loop 1755 - kernel_outer.h:444-447 - libgromacs.so.8 [...]+0.020.060.011020.020.01
○Loop 1754 - kernel_inner.h:421-423 - libgromacs.so.8 [...]0.010.030.01730.010.01
○Loop 1752 - kernel_inner.h:366-368 - libgromacs.so.8 [...]0.010.030580.010.00
○Loop 1751 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.010.040.01710.010.01
○Loop 1750 - kernel_inner.h:293-295 - libgromacs.so.8 [...]0.010.020590.010.01
○Loop 1753 - kernel_inner.h:393-395 - libgromacs.so.8 [...]00.010470.000.00
○Loop 1734 - kernel_outer.h:358-361 - libgromacs.so.8 [...]0.010.020640.010.00
►Loop 1739 - kernel_outer.h:473-473 - libgromacs.so.8 [...]+0.010.040.01810.010.01
○Loop 1737 - kernel_inner.h:393-395 - libgromacs.so.8 [...]0.010.030.01720.010.01
○Loop 1736 - kernel_inner.h:323-326 - libgromacs.so.8 [...]0.010.020630.010.00
○Loop 1738 - kernel_inner.h:432-434 - libgromacs.so.8 [...]00.020460.010.00
►Loop 1744 - kernel_outer.h:465-468 - libgromacs.so.8 [...]+00.010240.000.00
○Loop 1742 - kernel_inner.h:393-395 - libgromacs.so.8 [...]00.010110.000.00
○Loop 1740 - kernel_inner.h:293-295 - libgromacs.so.8 [...]00.010120.000.00
○Loop 1743 - kernel_inner.h:432-434 - libgromacs.so.8 [...]00.010120.000.00
○Loop 1741 - kernel_inner.h:323-326 - libgromacs.so.8 [...]00.010170.000.00
►_INTERNAL4c3d769b::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)+libgromacs.so.81.361.430.91280.560.37libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26485 - pme_spread.cpp:523-702 - libgromacs.so.8 [...]+00.010130.000.00
►Loop 26486 - pme_spread.cpp:523-702 - libgromacs.so.8 [...]+00.020200.000.00
►Loop 26487 - pme_spread.cpp:523-702 - libgromacs.so.8 [...]+00.020480.010.00
►Loop 26496 - pme_spread.cpp:585-641 - libgromacs.so.8 [...]+0.030.060.021190.020.01
►Loop 26497 - pme_spread.cpp:585-641 - libgromacs.so.8 [...]+0.20.350.131280.100.07
○Loop 26498 - pme_spread.cpp:639-641 - libgromacs.so.80.520.690.351280.240.16
○Loop 26500 - pme_spread.cpp:639-641 - libgromacs.so.80.360.490.241280.170.11
○Loop 26501 - pme_spread.cpp:639-641 - libgromacs.so.80.240.340.161280.120.08
○Loop 26499 - pme_spread.cpp:639-641 - libgromacs.so.800000.000.00
○Loop 26502 - pme_spread.cpp:639-641 - libgromacs.so.800000.000.00
►Loop 26488 - pme_spread.cpp:683-702 - libgromacs.so.8+00000.000.00
►Loop 26489 - pme_spread.cpp:685-702 - libgromacs.so.8+00000.000.00
○Loop 26493 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.00
○Loop 26490 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.00
○Loop 26495 - pme_spread.cpp:693-695 - libgromacs.so.800000.000.00
○Loop 26492 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.00
○Loop 26491 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.00
○Loop 26494 - pme_spread.cpp:700-702 - libgromacs.so.800000.000.00
○void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*)libiomp5.so1.281.710.851270.600.40OMP (%): 100.00
►_INTERNAL51e532c6::gmx::lincs_matrix_expand(_INTERNAL51e532c6::gmx::Lincs const&, (anonymous namespace)::Task const&, _INTERNAL51e532c6::gmx::ArrayRef<float const>, _INTERNAL51e532c6::gmx::ArrayRef<float>, _INTERNAL51e532c6::gmx::ArrayR...+libgromacs.so.81.161.270.771280.450.29libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23146 - lincs.cpp:328-348 - libgromacs.so.8 [...]+00000.000.00
►Loop 23147 - lincs.cpp:330-348 - libgromacs.so.8 [...]+00000.000.00
○Loop 23148 - lincs.cpp:340-344 - libgromacs.so.8 [...]00000.000.00
○Loop 23150 - lincs.cpp:340-344 - libgromacs.so.8 [...]00000.000.00
○Loop 23149 - lincs.cpp:340-344 - libgromacs.so.800000.000.00
►Loop 23151 - lincs.cpp:278-295 - libgromacs.so.8 [...]+00.010100.000.00
►Loop 23152 - lincs.cpp:284-295 - libgromacs.so.8+0.290.410.21280.120.08
○Loop 23153 - lincs.cpp:290-292 - libgromacs.so.80.871.20.581280.420.28
○Loop 23154 - lincs.cpp:290-292 - libgromacs.so.800000.000.00
○Loop 23155 - lincs.cpp:290-292 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#45}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.81.061.050.711280.330.21libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_t2bv_4_avxlibfftw3f.so.3.5.51.041.060.691280.240.15Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#41}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.81.011.010.671280.320.21libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n2bv_10_avxlibfftw3f.so.3.5.50.950.980.631280.240.16Math (%): 100.00
►_INTERNAL4c3d769b::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+libgromacs.so.80.910.920.61280.290.19libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 26474 - pme_spread.cpp:104-145 - libgromacs.so.8 [...]0.770.810.511280.260.17
○Loop 26475 - pme_spread.cpp:172-174 - libgromacs.so.80.130.190.091280.040.03
○Loop 26484 - pme_spread.cpp:96-98 - libgromacs.so.800.020590.000.00
○Loop 26479 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26477 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 26483 - pme_spread.cpp:104-133 - libgromacs.so.8 [...]00000.000.00
○Loop 26480 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26478 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26476 - pme_spread.cpp:165-167 - libgromacs.so.800.010150.000.00
○Loop 26481 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 26482 - pme_spread.cpp:154-156 - libgromacs.so.800.010290.000.00
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs.so.80.881.30.59870.370.24libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6278 - atomdata.cpp:226-236 - libgromacs.so.80.861.280.57870.360.24
○Loop 6277 - atomdata.cpp:226-236 - libgromacs.so.80.020.060.01840.020.01
○Loop 6274 - atomdata.cpp:172-176 - libgromacs.so.800000.000.00
○Loop 6272 - atomdata.cpp:180-184 - libgromacs.so.800000.000.00
○Loop 6279 - atomdata.cpp:207-217 - libgromacs.so.800000.000.00
○Loop 6273 - atomdata.cpp:180-184 - libgromacs.so.800000.000.00
○Loop 6266 - atomdata.cpp:161-165 - libgromacs.so.800000.000.00
○Loop 6280 - atomdata.cpp:193-203 - libgromacs.so.800000.000.00
○Loop 6281 - atomdata.cpp:193-203 - libgromacs.so.800000.000.00
○Loop 6265 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 6275 - atomdata.cpp:172-182 - libgromacs.so.8 [...]00000.000.00
○Loop 6267 - atomdata.cpp:161-163 - libgromacs.so.800000.000.00
○Loop 6268 - atomdata.cpp:161-165 - libgromacs.so.800000.000.00
○Loop 6271 - atomdata.cpp:180-184 - libgromacs.so.800000.000.00
○Loop 6270 - atomdata.cpp:154-163 - libgromacs.so.800000.000.00
○Loop 6276 - atomdata.cpp:240-250 - libgromacs.so.800000.000.00
○Loop 6269 - atomdata.cpp:154-158 - libgromacs.so.800000.000.00
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check()libiomp5.so0.750.880.51280.220.14OMP (%): 100.00
○Unknown functionlibgromacs.so.80.750.650.51280.090.06libgromacs.so.8 (%): 100.00
○_ZN17_INTERNAL1311483b26__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0libiomp5.so0.7315.690.481202.391.59OMP (%): 100.00
○void gmx::CoulombCalculator<(gmx::KernelCoulombType)1>::forceAndCorrectionEnergy<4, 4ul>(std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array<gmx::SimdFloat, 4> const&, std::array&...libgromacs.so.80.680.560.461280.070.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►finish_update#0x13839f8+libgromacs.so.80.610.670.411280.160.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23963 - update.cpp:1660-1664 - libgromacs.so.8 [...]0.60.660.41280.160.10
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#50}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.580.770.391280.190.12libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#48}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.580.780.391280.180.12libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)+libgromacs.so.80.580.970.391280.200.13libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26461 - pme_spread.cpp:186-1023 - libgromacs.so.8 [...]+00000.000.00
►Loop 26462 - pme_spread.cpp:186-1023 - libgromacs.so.8 [...]+00.010100.000.00
►Loop 26463 - pme_spread.cpp:188-199 - libgromacs.so.8 [...]+0.080.110.051280.030.02
○Loop 26466 - pme_spread.cpp:197-199 - libgromacs.so.80.030.060.021280.020.01
○Loop 26467 - pme_spread.cpp:197-199 - libgromacs.so.80.020.050.011070.020.01
○Loop 26464 - pme_spread.cpp:197-199 - libgromacs.so.80.010.030.01770.010.01
○Loop 26465 - pme_spread.cpp:197-199 - libgromacs.so.800.020480.010.00
►Loop 26468 - pme_spread.cpp:438-1023 - libgromacs.so.8 [...]+0.010.030750.010.00
►Loop 26469 - pme_spread.cpp:441-1023 - libgromacs.so.8 [...]+0.010.030.011000.010.01
○Loop 26470 - pme_spread.cpp:445-447 - libgromacs.so.80.360.840.241280.190.13
○Loop 26471 - pme_spread.cpp:441-445 - libgromacs.so.80.050.130.041240.040.03
○void _INTERNAL4936ffde::gmx::__regcall3__gatherLoadUTranspose<3>(float const*, int const*, _INTERNAL4936ffde::gmx::SimdFloat*, _INTERNAL4936ffde::gmx::SimdFloat*, _INTERNAL4936ffde::gmx::SimdFloat*)libgromacs.so.80.550.660.361280.190.13libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#38}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.550.550.361280.170.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<2, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&...libgromacs.so.80.540.560.361280.180.12libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#62}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.520.530.351280.170.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::lincs_update_atoms_ind(_INTERNAL51e532c6::gmx::ArrayRef<int const>, _INTERNAL51e532c6::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, _INTERNAL51e532c6::gmx::ArrayRef<float const>, _INTERNAL51e532c6::...+libgromacs.so.80.510.70.341280.140.09libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23160 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]0.510.70.341280.140.09
○Loop 23159 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00000.000.00
►_INTERNAL4c3d769b::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+libgromacs.so.80.510.660.341280.160.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26516 - pme_spread.cpp:331-400 - libgromacs.so.8 [...]+0.50.650.341280.160.11
○Loop 26515 - pme_simd4.h:138-140 - libgromacs.so.8 [...]00000.000.00
►Loop 26518 - pme_spread.cpp:332-400 - libgromacs.so.8 [...]+00000.000.00
►Loop 26517 - pme_spread.cpp:332-400 - libgromacs.so.8 [...]+00000.000.00
○Loop 26522 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26520 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26519 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26521 - pme_spread.cpp:400-400 - libgromacs.so.800000.000.00
○Loop 26523 - pme_spread.cpp:351-353 - libgromacs.so.800000.000.00
○Loop 26524 - pme_spread.cpp:351-353 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#42}>(nbnxm_kernel_ElecE...libgromacs.so.80.450.480.31280.150.10libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL4c3d769b::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+libgromacs.so.80.440.740.291280.230.15libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26504 - pme_spread.cpp:275-292 - libgromacs.so.8 [...]+0.440.740.291280.230.15
►Loop 26505 - pme_spread.cpp:292-292 - libgromacs.so.8+00000.000.00
○Loop 26506 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26510 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26509 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26507 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26511 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26508 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
►Loop 26512 - pme_spread.cpp:292-292 - libgromacs.so.8+00000.000.00
○Loop 26513 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26514 - pme_spread.cpp:292-292 - libgromacs.so.800000.000.00
○Loop 26503 - pme_spread.cpp:291-291 - libgromacs.so.800000.000.00
►__intel_avx_rep_memset+gmx0.410.570.271280.220.14Memory (%): 100.00
○Loop 71 - - gmx00.020290.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#105}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.40.930.261280.330.22libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#101}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.390.730.261280.340.22libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL3858d692::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, (NumTempScaleValues)0, float [3]>(int, i...+libgromacs.so.80.360.380.241280.090.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23961 - update.cpp:486-486 - libgromacs.so.8 [...]0.360.380.241280.090.06
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALad76a5e0::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs.so.80.330.40.221280.140.09libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25605 - bonded.cpp:1151-1255 - libgromacs.so.8 [...]0.330.40.221280.130.09
►reduceThreadForceBuffers#0xea385a+libgromacs.so.80.290.350.191280.090.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 9855 - threaded_force_buffer.cpp:171-211 - libgromacs.so.8 [...]+00.010210.000.00
○Loop 9856 - threaded_force_buffer.cpp:182-187 - libgromacs.so.8 [...]0.050.070.041280.020.01
►Loop 9858 - threaded_force_buffer.cpp:207-211 - libgromacs.so.8 [...]+0.050.10.031280.030.02
○Loop 9859 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...]0.170.250.111270.080.05
○Loop 9857 - threaded_force_buffer.cpp:200-200 - libgromacs.so.8 [...]00.020310.010.00
○fftwf_codelet_hc2cfdftv_2_sse2libfftw3f.so.3.5.50.290.310.191280.090.06Math (%): 100.00
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs.so.80.280.270.191280.040.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 4143 - kernel_prune.cpp:76-176 - libgromacs.so.8 [...]+00.020600.000.00
○Loop 4144 - kernel_prune.cpp:115-169 - libgromacs.so.8 [...]0.280.260.181280.040.03
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const...libgromacs.so.80.230.430.151280.160.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNAL1311483b::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*)libiomp5.so0.233.480.151150.600.40OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#110}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.220.420.141280.180.12libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL4936ffde::gmx::settleTemplate<_INTERNAL4936ffde::gmx::SimdFloat, _INTERNAL4936ffde::gmx::SimdFBool, 8, float const*, true, false>(_INTERNAL4936ffde::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...+libgromacs.so.80.220.350.141280.100.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23721 - settle.cpp:425-651 - libgromacs.so.8 [...]0.210.350.141280.100.06
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs.so.80.220.330.141280.090.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 9978 - stl_algobase.h:684-685 - libgromacs.so.80.010.030790.010.00
►Loop 9980 - threaded_force_buffer.cpp:78-80 - libgromacs.so.8 [...]+00.010400.000.00
○Loop 9979 - stl_algobase.h:695-695 - libgromacs.so.80.210.310.141280.090.06
○Loop 9974 - threaded_force_buffer.cpp:97-97 - libgromacs.so.8 [...]00000.000.00
○Loop 9973 - threaded_force_buffer.cpp:97-97 - libgromacs.so.8 [...]00.01010.000.00
○Loop 9976 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 9977 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
►Loop 9972 - threaded_force_buffer.cpp:90-94 - libgromacs.so.8 [...]+00.01010.000.00
○Loop 9975 - threaded_force_buffer.cpp:92-94 - libgromacs.so.800.01030.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#40}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.210.570.141280.180.12libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#65}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.210.250.141280.070.05libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#98}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.20.440.131280.170.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#108}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.20.370.131280.170.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#122}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.190.380.131280.160.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs.so.80.190.330.121200.150.10libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26197 - pme_grid.cpp:496-504 - libgromacs.so.8+00000.000.00
►Loop 26198 - pme_grid.cpp:496-504 - libgromacs.so.8+00000.000.00
○Loop 26199 - pme_grid.cpp:502-504 - libgromacs.so.800000.000.00
○Loop 26200 - pme_grid.cpp:500-504 - libgromacs.so.800000.000.00
►Loop 26193 - pme_grid.cpp:496-539 - libgromacs.so.8 [...]+00.01010.000.00
►Loop 26194 - pme_grid.cpp:496-539 - libgromacs.so.8 [...]+0.040.10.03950.030.02
○Loop 26195 - pme_grid.cpp:537-539 - libgromacs.so.80.130.250.09960.100.07
○Loop 26196 - pme_grid.cpp:535-539 - libgromacs.so.800020.000.00
►Loop 26189 - pme_grid.cpp:512-539 - libgromacs.so.8 [...]+00010.000.00
►Loop 26190 - pme_grid.cpp:518-539 - libgromacs.so.8 [...]+00000.000.00
○Loop 26191 - pme_grid.cpp:520-522 - libgromacs.so.800000.000.00
○Loop 26192 - pme_grid.cpp:518-522 - libgromacs.so.800050.000.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#102}>(nbnxm_kernel_Elec...libgromacs.so.80.180.510.121280.170.11libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#67}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.180.280.121280.080.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL0808fbd2::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs.so.80.170.160.111280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7338 - pairlist_simd_4xm.h:136-195 - libgromacs.so.8 [...]0.110.110.071280.030.02
○Loop 7337 - pairlist_simd_4xm.h:204-262 - libgromacs.so.8 [...]0.040.050.021280.020.01
○Loop 7336 - pairlist_simd_4xm.h:268-273 - libgromacs.so.8 [...]0.010.020700.010.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#46}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.170.230.111280.060.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#47}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.160.210.111280.060.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4ul>::array()libgromacs.so.80.150.170.11280.040.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#39}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.150.180.11280.060.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<2, false, false, 4ul, 0ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.150.230.11280.060.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL0808fbd2::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.so.80.140.140.091280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 7309 - pairlist.cpp:2323-3625 - libgromacs.so.8 [...]+00.010110.000.00
►Loop 7310 - pairlist.cpp:2323-3618 - libgromacs.so.8 [...]+00.010170.000.00
►Loop 7311 - pairlist.cpp:2323-3618 - libgromacs.so.8 [...]+00.010330.000.00
►Loop 7312 - pairlist.cpp:2323-3618 - libgromacs.so.8 [...]+00.010350.000.00
►Loop 7313 - pairlist.cpp:3073-3587 - libgromacs.so.8 [...]+00.010430.000.00
►Loop 7314 - pairlist.cpp:3073-3587 - libgromacs.so.8 [...]+0.050.080.031280.020.01
○Loop 7315 - pairlist.cpp:3520-3524 - libgromacs.so.80.060.070.041280.020.01
○Loop 7316 - pairlist.cpp:3505-3509 - libgromacs.so.80.020.030.011150.010.01
○Loop 7308 - pairlist.cpp:268-3246 - libgromacs.so.8 [...]00000.000.00
○Loop 7307 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 7317 - pairlist.cpp:2998-3000 - libgromacs.so.800000.000.00
○Loop 7318 - pairlist.cpp:2998-3000 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#66}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.140.220.091280.060.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_mkplan_hc2clibfftw3f.so.3.5.50.130.190.091280.060.04Math (%): 100.00
►_INTERNAL51e532c6::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL51e532c6::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...+libgromacs.so.80.130.190.091280.050.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23161 - lincs.cpp:845-875 - libgromacs.so.8 [...]0.130.190.091280.050.03
○_INTERNAL1311483b::__kmp_hyper_barrier_release(barrier_type, kmp_info*, int, int, int, void*)libiomp5.so0.130.280.091280.070.05OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#41}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.120.160.081280.050.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::do_lincs(_INTERNAL51e532c6::gmx::ArrayRefWithPadding<_INTERNAL51e532c6::gmx::BasicVector<float> const>, _INTERNAL51e532c6::gmx::ArrayRefWithPadding<_INTERNAL51e532c6::gmx::BasicVector<float> >, float const (*...+libgromacs.so.80.120.130.081280.040.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23144 - lincs.cpp:1133-1137 - libgromacs.so.8 [...]+0.020.050.011110.010.01
○Loop 23145 - lincs.cpp:1135-1137 - libgromacs.so.8 [...]0.080.110.051280.030.02
○Loop 23139 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.00
○Loop 23143 - lincs.cpp:1146-1146 - libgromacs.so.8 [...]00.010230.000.00
►Loop 23141 - lincs.cpp:1171-1223 - libgromacs.so.8 [...]+00.010150.000.00
○Loop 23142 - lincs.cpp:1205-1205 - libgromacs.so.8 [...]0.010.030.01900.010.01
○Loop 23140 - lincs.cpp:1243-1245 - libgromacs.so.8 [...]00.010170.000.00
○Loop 23137 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.00
○Loop 23138 - lincs.cpp:1252-1257 - libgromacs.so.800000.000.00
○Loop 23136 - lincs.cpp:1265-1273 - libgromacs.so.8 [...]00.010440.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#45}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.120.20.081280.050.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__kmp_launch_threadlibiomp5.so0.110.170.071270.060.04OMP (%): 100.00
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&...libgromacs.so.80.110.190.071280.080.05libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#44}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.110.130.071280.040.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__GI___sched_yieldlibc-2.28.so0.10.140.071280.040.03System (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#127}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.10.220.071260.080.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNALad76a5e0::(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.so.80.10.150.061280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long)libgromacs.so.80.090.140.061280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_hc2cbdftv_6_sse2libfftw3f.so.3.5.50.090.110.061280.030.02Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#63}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.090.150.061280.040.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#125}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.090.250.061240.080.06libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#64}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.090.120.061280.040.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#54}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.090.120.061280.040.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_t2fv_4_avxlibfftw3f.so.3.5.50.090.120.061280.030.02Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#126}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.080.250.051240.070.05libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs.so.80.080.090.051280.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26373 - pme_solve.cpp:97-560 - libgromacs.so.8 [...]+0.010.030.011020.010.01
○Loop 26389 - pme_solve.cpp:498-510 - libgromacs.so.80.010.020630.010.00
○Loop 26375 - pme_solve.cpp:554-560 - libgromacs.so.80.010.030.01840.010.00
○Loop 26381 - pme_solve.cpp:533-542 - libgromacs.so.80.010.020.01820.010.00
○Loop 26401 - pme_solve.cpp:456-469 - libgromacs.so.80.010.020.01910.010.00
○Loop 26379 - pme_solve.cpp:233-237 - libgromacs.so.8 [...]0.010.030.011030.010.01
○Loop 26385 - pme_solve.cpp:521-530 - libgromacs.so.80.010.030.01780.010.01
○Loop 26402 - pme_solve.cpp:440-453 - libgromacs.so.80.010.020780.010.00
○Loop 26380 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.00
○Loop 26377 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26395 - pme_solve.cpp:233-237 - libgromacs.so.8 [...]00.010160.000.00
○Loop 26398 - pme_solve.cpp:472-474 - libgromacs.so.800.01030.000.00
○Loop 26383 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.00
○Loop 26391 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.00
○Loop 26388 - pme_solve.cpp:498-510 - libgromacs.so.800000.000.00
○Loop 26393 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.00
○Loop 26394 - pme_solve.cpp:485-495 - libgromacs.so.800000.000.00
○Loop 26387 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.00
○Loop 26400 - pme_solve.cpp:472-474 - libgromacs.so.800010.000.00
○Loop 26399 - pme_solve.cpp:472-474 - libgromacs.so.800.01030.000.00
○Loop 26374 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26392 - pme_solve.cpp:485-495 - libgromacs.so.800.010290.000.00
○Loop 26382 - pme_solve.cpp:533-542 - libgromacs.so.800000.000.00
○Loop 26378 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26376 - pme_solve.cpp:554-560 - libgromacs.so.800000.000.00
○Loop 26390 - pme_solve.cpp:498-510 - libgromacs.so.800000.000.00
○Loop 26386 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.00
○Loop 26384 - pme_solve.cpp:521-530 - libgromacs.so.800000.000.00
○Loop 26396 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○Loop 26397 - pme_solve.cpp:472-474 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#99}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.080.210.061230.080.05libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►setupForceOutputs#0x1371620+libgromacs.so.80.080.10.051280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23780 - sim_util.cpp:473-473 - libgromacs.so.8 [...]0.070.090.051280.030.02
○fftwf_codelet_n2fv_10_avxlibfftw3f.so.3.5.50.080.130.051280.030.02Math (%): 100.00
►void _INTERNALf917ce76::do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float)+libgromacs.so.80.070.090.051280.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25904 - pairs.cpp:863-894 - libgromacs.so.8 [...]0.070.090.051280.020.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#67}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.070.140.041280.040.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#48}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.070.090.041270.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#62}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.070.110.051280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_mkplan_dftwlibfftw3f.so.3.5.50.060.130.041230.040.03Math (%): 100.00
►_INTERNAL51e532c6::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL51e532c6::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)+libgromacs.so.80.060.090.041280.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23156 - lincs.cpp:966-978 - libgromacs.so.8 [...]0.060.090.041280.030.02
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#107}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.060.130.041260.050.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#106}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.060.130.041240.050.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_r2cf_3libfftw3f.so.3.5.50.060.150.041270.040.03Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#165}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.090.031070.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#60}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.050.070.031260.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs.so.80.050.10.031280.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 10291 - pbc.cpp:1001-1018 - libgromacs.so.8 [...]00000.000.00
○Loop 10289 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 10290 - pbc.cpp:911-921 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#59}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.050.080.031270.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#124}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.170.031180.050.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_codelet_n1bv_15_avxlibfftw3f.so.3.5.50.050.10.041280.020.01Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#104}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.120.031160.040.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#100}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.250.031170.060.04libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#161}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.050.080.031060.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__kmp_invoke_microtasklibiomp5.so0.050.070.031260.020.01OMP (%): 100.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#42}>(nbnxm_kernel_Elec...libgromacs.so.80.050.090.031270.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long) constlibgromacs.so.80.050.10.031260.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►calc_ke_part_normal#0x1345ec2+libgromacs.so.80.040.080.031280.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23259 - md_support.cpp:114-157 - libgromacs.so.8 [...]+00010.000.00
○Loop 23260 - md_support.cpp:139-157 - libgromacs.so.8 [...]0.040.080.031280.020.02
○Loop 23261 - md_support.cpp:132-132 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#101}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.040.110.031180.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#71}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.040.10.031100.040.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALad76a5e0::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...+libgromacs.so.80.040.080.031280.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25615 - bonded.cpp:2059-2126 - libgromacs.so.8 [...]0.040.080.031280.020.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#15}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.040.060.021250.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNAL507e9979::gmx::SimdFloat _INTERNAL507e9979::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL507e9979::gmx::SimdFloat)libgromacs.so.80.040.050.021270.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#105}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.040.110.031150.040.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 0ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&...libgromacs.so.80.040.10.021240.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL423d7b8c::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.so.80.040.060.021280.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6286 - atomdata.cpp:1142-1148 - libgromacs.so.8 [...]0.040.060.021280.020.01
○Loop 6287 - atomdata.cpp:1132-1138 - libgromacs.so.8 [...]00000.000.00
○Loop 6285 - atomdata.cpp:1122-1128 - libgromacs.so.800000.000.00
○Loop 6284 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#11}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.040.080.031270.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_INTERNALad76a5e0::(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.so.80.040.070.031270.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#66}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.040.060.021250.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#55}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.040.080.031250.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#168}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.060.021000.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#123}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.090.021080.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#59}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.070.021190.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#120}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.080.021120.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&...libgromacs.so.80.030.070.021050.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL0808fbd2::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, gmx::ListOfLists<int> const&)+libgromacs.so.80.030.050.021250.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 7347 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+0.010.020710.000.00
►Loop 7348 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]+0.020.040.011160.010.01
○Loop 7349 - pairlist.cpp:1341-1357 - libgromacs.so.8 [...]00.020560.000.00
○Loop 7350 - pairlist.cpp:1279-1282 - libgromacs.so.800.01080.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#53}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.060.021240.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#4}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.030.050.021230.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__kmp_yieldlibiomp5.so0.030.060.021220.020.01OMP (%): 100.00
○void gmx::LennardJonesCalculator<false, (InteractionModifiers)1>::forceSigmaEpsilon<2, true, false, 4ul, 4ul, 0ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.030.050.021230.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+libgromacs.so.80.030.060.021210.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 9954 - threaded_force_buffer.cpp:122-122 - libgromacs.so.8 [...]0.030.060.021210.020.01
○Loop 9958 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9964 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 9957 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9967 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00.01030.000.00
○Loop 9961 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 9960 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 9966 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9970 - stl_algobase.h:740-789 - libgromacs.so.8 [...]00000.000.00
○Loop 9956 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9962 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 9965 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9963 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 9959 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9969 - stl_algobase.h:740-742 - libgromacs.so.800000.000.00
○Loop 9968 - stl_uninitialized.h:630-630 - libgromacs.so.8 [...]00000.000.00
○Loop 9955 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
►_INTERNAL5a3f01e8::calc_bonded_reduction_mask(int, gmx::ThreadForceBuffer<float [4]>*, InteractionDefinitions const&, int, bonded_threading_t const&)+libgromacs.so.80.030.060.021240.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 25839 - manage_threading.cpp:351-367 - libgromacs.so.8 [...]+00.01030.000.00
►Loop 25840 - manage_threading.cpp:363-367 - libgromacs.so.8 [...]+00040.000.00
○Loop 25841 - manage_threading.cpp:365-367 - libgromacs.so.8 [...]0.030.060.021230.020.01
○Loop 25838 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#122}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.090.02950.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#20}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.030.060.021210.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#65}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.030.050.021200.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...+libgromacs.so.80.030.060.021160.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23922 - update.cpp:920-1840 - libgromacs.so.8 [...]+0.030.060.021130.020.01
○Loop 23923 - update.cpp:937-1720 - libgromacs.so.8 [...]00000.000.00
○Loop 23920 - update.cpp:1840-1843 - libgromacs.so.800000.000.00
○Loop 23921 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALad76a5e0::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...+libgromacs.so.80.030.060.021250.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 25684 - bonded.cpp:129-2011 - libgromacs.so.8 [...]+0.030.060.021250.010.01
○Loop 25685 - bonded.cpp:1914-2008 - libgromacs.so.8 [...]00.010210.000.00
►_INTERNAL51e532c6::gmx::set_matrix_indices(_INTERNAL51e532c6::gmx::Lincs*, (anonymous namespace)::Task const&, _INTERNAL51e532c6::gmx::ListOfLists<int> const&, bool)+libgromacs.so.80.030.060.021260.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23187 - lincs.cpp:1986-2012 - libgromacs.so.8 [...]+0.010.040.011060.010.01
○Loop 23201 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]0.010.030.011050.010.01
►Loop 23193 - stl_iterator.h:806-988 - libgromacs.so.8 [...]+00000.000.00
○Loop 23194 - predefined_ops.h:90-90 - libgromacs.so.8 [...]00000.000.00
►Loop 23188 - stl_iterator.h:806-988 - libgromacs.so.8 [...]+00000.000.00
○Loop 23189 - predefined_ops.h:90-90 - libgromacs.so.8 [...]00000.000.00
○Loop 23200 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00.020440.010.00
►Loop 23191 - stl_iterator.h:806-887 - libgromacs.so.8 [...]+00000.000.00
○Loop 23192 - predefined_ops.h:90-90 - libgromacs.so.8 [...]00000.000.00
►Loop 23197 - stl_algo.h:1920-1955 - libgromacs.so.8 [...]+00000.000.00
►Loop 23196 - stl_iterator.h:806-902 - libgromacs.so.8 [...]+00000.000.00
○Loop 23199 - predefined_ops.h:43-43 - libgromacs.so.8 [...]00000.000.00
○Loop 23198 - predefined_ops.h:43-43 - libgromacs.so.8 [...]00000.000.00
○Loop 23190 - stl_heap.h:342-346 - libgromacs.so.8 [...]00000.000.00
○Loop 23195 - stl_heap.h:251-405 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.030.080.021060.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#75}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.030.080.021040.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL4936ffde::gmx::settleTemplate<_INTERNAL4936ffde::gmx::SimdFloat, _INTERNAL4936ffde::gmx::SimdFBool, 8, float const*, true, true>(_INTERNAL4936ffde::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...+libgromacs.so.80.030.070.021210.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23720 - settle.cpp:425-676 - libgromacs.so.8 [...]0.030.070.021210.020.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#114}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.030.120.021060.030.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►void _INTERNAL2cbbcd96::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.so.80.030.050.021210.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8542 - new_allocator.h:101-136 - libgromacs.so.8 [...]+00000.000.00
○Loop 8544 - stl_vector.h:951-951 - libgromacs.so.8 [...]00000.000.00
►Loop 8545 - iterator_interface.hpp:166-459 - libgromacs.so.8 [...]+00000.000.00
►Loop 8546 - localtopology.cpp:732-788 - libgromacs.so.8 [...]+00.020420.000.00
►Loop 8548 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]+0.020.050.011200.010.01
○Loop 8549 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8547 - stl_algo.h:118-118 - libgromacs.so.8 [...]00000.000.00
○Loop 8543 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
►float _INTERNALf917ce76::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 const>, gmx::ArrayRef<float c...+libgromacs.so.80.030.050.021240.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25906 - pairs.cpp:125-824 - libgromacs.so.8 [...]0.030.050.021240.020.01
○Loop 25905 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#1}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.030.040.021250.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○kmp_flag_native<unsigned long long, (flag_type)1, true>::done_check()libiomp5.so0.020.260.01500.070.05OMP (%): 100.00
○gmx::DiagonalMasker<4, (KernelLayout)0, (gmx::DiagonalMaskType)1>::maskArray(int, int, std::array<gmx::SimdFBool, 4ul>&) constlibgromacs.so.80.020.040.011220.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#47}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.050.011170.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#78}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.060.01800.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#72}>(nbnxm_kernel_ElecE...libgromacs.so.80.020.060.01980.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.020.060.021100.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#119}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.050.01960.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs.so.80.020.040.021220.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.020.060.011060.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#98}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.070.02930.020.02libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.020.070.021040.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALad76a5e0::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+libgromacs.so.80.020.030.011120.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 25674 - bonded.cpp:445-1084 - libgromacs.so.8 [...]0.020.030.011120.010.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#39}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.050.011080.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#38}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.050.021220.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL3858d692::updateMDLeapfrogSimple<(StoreUpdatedVelocities)0, (NumTempScaleValues)2, (ParrinelloRahmanVelocit...+libgromacs.so.80.020.050.021230.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23931 - update.cpp:367-393 - libgromacs.so.8 [...]0.020.050.021230.020.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#92}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.050.01860.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::set_lincs_matrix_task(_INTERNAL51e532c6::gmx::Lincs*, (anonymous namespace)::Task*, _INTERNAL51e532c6::gmx::ArrayRef<float const>, int*, int*)+libgromacs.so.80.020.040.011120.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23165 - lincs.cpp:1301-1374 - libgromacs.so.8 [...]+00.010210.000.00
►Loop 23166 - lincs.cpp:1305-1374 - libgromacs.so.8 [...]+0.010.040.011050.010.01
○Loop 23167 - lincs.cpp:1341-1374 - libgromacs.so.8 [...]00000.000.00
○Loop 23164 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#2}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.020.050.011170.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNALa6877fbc::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+libgromacs.so.80.020.050.02850.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 6637 - grid.cpp:816-868 - libgromacs.so.8 [...]+00.010130.000.00
○Loop 6638 - grid.cpp:855-857 - libgromacs.so.800000.000.00
○Loop 6640 - grid.cpp:851-853 - libgromacs.so.800.01020.000.00
○Loop 6641 - grid.cpp:851-853 - libgromacs.so.800000.000.00
○Loop 6639 - grid.cpp:855-857 - libgromacs.so.800000.000.00
○Loop 6643 - grid.cpp:825-825 - libgromacs.so.800.020420.000.00
○Loop 6642 - grid.cpp:823-834 - libgromacs.so.800.020470.010.00
○std::enable_if<(true)&&(((KernelLayout)0)==((KernelLayout)0)), std::array<gmx::SimdFBool, 4ul> >::type gmx::loadSimdPairInteractionMasks<true, (KernelLayout)0>(int, gmx::SimdFInt32*)libgromacs.so.80.020.050.021240.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#182}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.060.01970.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#8}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.020.040.011170.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.020.050.01900.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__libm_atan2f_l9libgromacs.so.80.020.040.011140.010.01libgromacs.so.8 (%): 100.00
►int _INTERNAL2cbbcd96::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.so.80.020.050.011030.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8570 - localtopology.cpp:417-577 - libgromacs.so.8 [...]+0.010.030.01740.010.01
►Loop 8577 - localtopology.cpp:506-514 - libgromacs.so.8 [...]+0.010.030630.010.00
○Loop 8578 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8575 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8576 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8571 - idef.h:245-247 - libgromacs.so.8 [...]00.010150.000.00
○Loop 8574 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8572 - vector.tcc:589-589 - libgromacs.so.8 [...]00020.000.00
○Loop 8579 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8573 - stl_algobase.h:752-754 - libgromacs.so.800.01080.010.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#158}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.060.021020.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#167}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.01970.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#162}>(nbnxm_kernel_Elec...libgromacs.so.80.020.050.01970.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#102}>(nbnxm_kernel_Ele...libgromacs.so.80.020.050.01860.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL1153a3b6::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.so.80.020.040.011180.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23776 - sim_util.cpp:150-150 - libgromacs.so.8 [...]0.020.040.011180.010.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#64}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.020.040.011160.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL0808fbd2::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+libgromacs.so.80.020.030.011090.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7328 - stl_algobase.h:740-742 - libgromacs.so.800000.000.00
○Loop 7322 - pairlist.cpp:2099-2101 - libgromacs.so.800.010420.000.00
○Loop 7325 - pairlist.cpp:2082-2086 - libgromacs.so.800.020560.000.00
○Loop 7324 - pairlist.cpp:2092-2096 - libgromacs.so.800.010470.000.00
○Loop 7327 - stl_algobase.h:740-742 - libgromacs.so.800.010140.000.00
○Loop 7326 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 7323 - pairlist.cpp:2099-2101 - libgromacs.so.800000.000.00
○__kmp_join_barrier(int)libiomp5.so0.020.050.021210.010.01OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#3}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.020.040.011150.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#108}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.020.060.021060.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_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.so.80.020.040.021190.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7532 - stl_algobase.h:740-742 - libgromacs.so.80.020.040.021190.010.01
○Loop 7531 - stl_algobase.h:684-685 - libgromacs.so.800000.000.00
○Loop 7533 - stl_algobase.h:684-685 - libgromacs.so.800000.000.00
○Loop 7530 - stl_algobase.h:741-742 - libgromacs.so.800010.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#18}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.011140.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL51e532c6::gmx::lincs_thread_setup(_INTERNAL51e532c6::gmx::Lincs*, int)+libgromacs.so.80.020.310.011040.040.03libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23181 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00.14010.000.00
►Loop 23178 - lincs.cpp:1733-1741 - libgromacs.so.8 [...]+00000.000.00
○Loop 23179 - lincs.cpp:1738-1741 - libgromacs.so.8 [...]00000.000.00
○Loop 23180 - lincs.cpp:1738-1741 - libgromacs.so.8 [...]00.01010.000.00
►Loop 23182 - lincs.cpp:1674-1682 - libgromacs.so.8 [...]+00000.000.00
○Loop 23183 - lincs.cpp:1679-1682 - libgromacs.so.8 [...]00.01010.000.00
►Loop 23173 - lincs.cpp:1687-1708 - libgromacs.so.8 [...]+00.01010.000.00
○Loop 23174 - lincs.cpp:1702-1708 - libgromacs.so.8 [...]0.010.030.011000.010.01
►Loop 23176 - lincs.cpp:1779-1797 - libgromacs.so.8 [...]+00010.000.00
○Loop 23177 - stl_iterator.h:806-969 - libgromacs.so.8 [...]00.01010.000.00
○Loop 23184 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00.13010.000.00
○Loop 23175 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#32}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.040.011180.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#68}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.060.01950.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#80}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.020.050.01990.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+libgromacs.so.80.021.420.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 10000 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
►Loop 10003 - vector.tcc:426-631 - libgromacs.so.8 [...]+00000.000.00
○Loop 10006 - vector.tcc:589-589 - libgromacs.so.8 [...]00000.000.00
○Loop 10008 - stl_algobase.h:740-789 - libgromacs.so.8 [...]00000.000.00
○Loop 10007 - stl_algobase.h:740-742 - libgromacs.so.800000.000.00
►Loop 10001 - threaded_force_buffer.cpp:272-301 - libgromacs.so.8 [...]+00.03010.000.00
○Loop 10005 - threaded_force_buffer.cpp:278-280 - libgromacs.so.8 [...]0.021.380.0110.000.00
○Loop 10004 - threaded_force_buffer.cpp:278-280 - libgromacs.so.8 [...]00.01010.000.00
○Loop 10002 - threaded_force_buffer.cpp:290-294 - libgromacs.so.8 [...]00000.000.00
○Loop 10009 - stl_iterator.h:806-887 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFBool, 4> genBoolArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#12}>(nbnxm_kernel_ElecE...libgromacs.so.80.020.050.011130.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL5c39f9b1::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.so.80.010.030.01910.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 8311 - domdec_constraints.cpp:206-254 - libgromacs.so.8 [...]+00.020610.010.00
►Loop 8316 - new_allocator.h:101-130 - libgromacs.so.8 [...]+00.01070.000.00
○Loop 8313 - vector.tcc:589-590 - libgromacs.so.8 [...]00.01020.000.00
►Loop 8312 - domdec_constraints.cpp:226-236 - libgromacs.so.8 [...]+00.010460.000.00
○Loop 8321 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8322 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00.01030.000.00
○Loop 8314 - stl_algobase.h:752-754 - libgromacs.so.800050.000.00
►Loop 8319 - stl_vector.h:296-1646 - libgromacs.so.8 [...]+00030.000.00
○Loop 8320 - hashedmap.h:277-282 - libgromacs.so.8 [...]00000.000.00
○Loop 8318 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8317 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
○Loop 8315 - stl_algobase.h:752-754 - libgromacs.so.800000.000.00
►gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...+libgromacs.so.80.010.030.01820.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 25999 - pme.cpp:1220-1433 - libgromacs.so.8 [...]+00010.000.00
○Loop 26000 - pme.cpp:1220-1228 - libgromacs.so.8 [...]00000.000.00
○Loop 25992 - array:94-94 - libgromacs.so.8 [...]00000.000.00
○Loop 25993 - pme.cpp:1679-1694 - libgromacs.so.8 [...]00000.000.00
○Loop 26001 - pme.cpp:1177-1180 - libgromacs.so.8 [...]00000.000.00
►Loop 25996 - pme.cpp:1442-1673 - libgromacs.so.8 [...]+00000.000.00
○Loop 25998 - pme.cpp:1487-1489 - libgromacs.so.8 [...]00000.000.00
○Loop 25994 - pme.cpp:1505-1558 - libgromacs.so.8 [...]00000.000.00
○Loop 25995 - pme.cpp:1599-1671 - libgromacs.so.8 [...]00000.000.00
○Loop 25997 - pme.cpp:1494-1496 - libgromacs.so.8 [...]00000.000.00
○Loop 25989 - pme.cpp:1444-1445 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#33}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.010600.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►apply#0x130bfc5+libgromacs.so.80.010.020700.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 22407 - constr.cpp:591-610 - libgromacs.so.8 [...]00.010220.000.00
○__kmp_barrierlibiomp5.so0.010.090.01810.020.01OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#74}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030590.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#125}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.040.01740.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#69}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030620.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#115}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.040.01830.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__kmp_fork_barrier(int, int)libiomp5.so0.010.020570.010.00OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#16}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030.011090.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#70}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.040550.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#76}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.040.01870.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#186}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030.01800.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#19}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030.01980.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs.so.80.010.040.011090.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#161}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.030640.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNALa6877fbc::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs.so.80.010.030.01770.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 6651 - grid.cpp:329-408 - libgromacs.so.8 [...]+0.010.030650.010.01
○Loop 6655 - grid.cpp:397-402 - libgromacs.so.8 [...]00000.000.00
○Loop 6654 - grid.cpp:385-389 - libgromacs.so.8 [...]00.01050.000.00
○Loop 6653 - grid.cpp:415-420 - libgromacs.so.800.020430.010.00
○Loop 6650 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○Loop 6652 - grid.cpp:426-431 - libgromacs.so.800000.000.00
►void _INTERNAL0808fbd2::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)+libgromacs.so.80.010.050.01820.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 7478 - pairlist.cpp:3723-3746 - libgromacs.so.8 [...]+00040.000.00
►Loop 7479 - pairlist.cpp:3735-3746 - libgromacs.so.8 [...]+0.010.050.01800.010.01
○Loop 7481 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 7480 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00010.000.00
○Loop 7482 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○Loop 7483 - stl_uninitialized.h:274-274 - libgromacs.so.8 [...]00000.000.00
○fftwf_codelet_r2cb_7libfftw3f.so.3.5.50.010.020760.010.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#51}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.040.01990.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3])+libgromacs.so.80.010.020610.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6283 - atomdata.cpp:1232-1236 - libgromacs.so.800.01030.000.00
○Loop 6282 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#63}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030.01890.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#119}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.060.01760.020.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#164}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020680.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#187}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030.01860.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_rdft2_buffered_registerlibfftw3f.so.3.5.50.010.020.01930.010.00Math (%): 100.00
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, true, false, true, 4ul, 4ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 4> const&a...libgromacs.so.80.010.030.01760.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#126}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.050.01700.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__kmp_enter_singlelibiomp5.so0.010.020620.010.00OMP (%): 100.00
○void gmx::lennardJonesInteractionsSigmaEpsilon<2, true, false, true, 4ul, 4ul, 2ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 4ul> const&, gmx::SimdFBool const*, std::array<gmx::SimdFloat, 2> const&a...libgromacs.so.80.010.030760.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○constrain_lincs#0x133b8eclibgromacs.so.80.010.040.011010.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#79}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.040720.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#14}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020720.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 2ul>::array()libgromacs.so.80.010.030630.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__kmpc_masterlibiomp5.so0.010.030.01990.010.01OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#9}>(nbnxm_kernel_ElecEw_Vdw...libgromacs.so.80.010.020790.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs.so.80.010.050.01750.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 26162 - pme_grid.cpp:395-418 - libgromacs.so.8 [...]+00010.000.00
○Loop 26164 - pme_grid.cpp:395-404 - libgromacs.so.80.010.050700.010.01
○Loop 26163 - pme_grid.cpp:402-404 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#120}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.030590.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2> genArr<2, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#60}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030.01880.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#17}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.020620.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►nbnxn_atomdata_copy_x_to_nbat_x#0xcc220d+libgromacs.so.80.010.030.01980.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 6262 - atomdata.cpp:965-982 - libgromacs.so.8 [...]+00000.000.00
►Loop 6263 - atomdata.cpp:969-982 - libgromacs.so.8 [...]+00.01050.000.00
○Loop 6264 - atomdata.cpp:977-982 - libgromacs.so.8 [...]0.010.020590.000.00
○fftwf_ct_genericbuf_registerlibfftw3f.so.3.5.50.010.040.01880.010.01Math (%): 100.00
○__kmp_finish_implicit_tasklibiomp5.so0.010.020620.010.00OMP (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#97}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.050.01760.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL0808fbd2::reduce_buffer_flags(gmx::ArrayRef<PairsearchWork>, int, gmx::ArrayRef<std::array<unsigned long, 2ul> >)+libgromacs.so.80.010.690.0110.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 7490 - pairlist.cpp:3650-3657 - libgromacs.so.8 [...]+00000.000.00
○Loop 7491 - pairlist.cpp:3654-3657 - libgromacs.so.8 [...]0.010.690.0110.000.00
►setupForceOutputs#0x137132c+libgromacs.so.80.010.030790.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23782 - sim_util.cpp:473-473 - libgromacs.so.8 [...]0.010.030750.000.00
►lincs_thread_setup#0x1340d1f+libgromacs.so.80.010.020670.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 23185 - lincs.cpp:1746-1765 - libgromacs.so.8 [...]+00010.000.00
○Loop 23186 - stl_iterator.h:806-887 - libgromacs.so.8 [...]0.010.020660.000.00
○fftwf_codelet_r2cbIII_7libfftw3f.so.3.5.50.010.020720.010.00Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#159}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.040.01790.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○_intel_fast_memcpygmx0.010.080380.020.02Memory (%): 100.00
►void _INTERNAL2bdc0b8b::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+libgromacs.so.80.010.57010.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 8761 - iterator_interface.hpp:459-459 - libgromacs.so.8 [...]00.3010.000.00
○Loop 8760 - stl_algobase.h:322-324 - libgromacs.so.8 [...]00.27010.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#44}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030.01960.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#107}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.030.01630.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL558aa7eb::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>, gmx::Ar...+libgromacs.so.80.010.050.011050.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 25827 - listed_forces.cpp:388-451 - libgromacs.so.8 [...]+00000.000.00
►Loop 25828 - listed_forces.cpp:388-451 - libgromacs.so.8 [...]+00000.000.00
○Loop 25826 - listed_forces.cpp:421-451 - libgromacs.so.8 [...]0.010.010590.000.00
○void gmx::LennardJonesCalculator<true, (InteractionModifiers)1>::forceSigmaEpsilon<4, false, false, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool*, std::array&l...libgromacs.so.80.010.020570.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL1dffae34::nbnxn_kernel_cpu(PairlistSet const&, Nbnxm::KernelSetup const&, nbnxn_atomdata_t*, interaction_const_t const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::StepWorkload const&, int, float*, float*, gmx_w...+libgromacs.so.80.010.040.01810.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6816 - fs_path.h:182-182 - libgromacs.so.8 [...]00000.000.00
►Loop 6792 - stl_algobase.h:695-696 - libgromacs.so.8 [...]+00.01010.000.00
○Loop 6814 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 6810 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 6808 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 6815 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 6809 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
►Loop 6807 - kerneldispatch.cpp:115-127 - libgromacs.so.8+00000.000.00
►Loop 6806 - kerneldispatch.cpp:117-127 - libgromacs.so.8+00000.000.00
○Loop 6805 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
►Loop 6795 - kerneldispatch.cpp:115-127 - libgromacs.so.8 [...]+00000.000.00
►Loop 6797 - kerneldispatch.cpp:115-127 - libgromacs.so.8 [...]+00000.000.00
○Loop 6796 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
○Loop 6804 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
►Loop 6794 - kerneldispatch.cpp:115-127 - libgromacs.so.8 [...]+00000.000.00
○Loop 6799 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
►Loop 6800 - kerneldispatch.cpp:115-127 - libgromacs.so.8 [...]+00000.000.00
○Loop 6803 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
○Loop 6801 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
○Loop 6802 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
○Loop 6798 - kerneldispatch.cpp:119-127 - libgromacs.so.800000.000.00
○Loop 6813 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 6793 - kerneldispatch.cpp:267-307 - libgromacs.so.8 [...]00.020280.010.00
○Loop 6811 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
○Loop 6812 - stl_algobase.h:695-696 - libgromacs.so.800000.000.00
►void _INTERNAL0808fbd2::get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*)+libgromacs.so.80.010.020660.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7321 - pairlist.cpp:282-286 - libgromacs.so.800.010230.000.00
○Loop 7320 - pairlist.cpp:291-295 - libgromacs.so.800.010280.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#127}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.030.01760.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○fftwf_dft_conf_standardlibfftw3f.so.3.5.50.010.030650.010.01Math (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#96}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030530.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__libm_acosf_l9libgromacs.so.80.010.030.01920.010.00libgromacs.so.8 (%): 100.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#46}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030.01810.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○void _INTERNALad76a5e0::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat)libgromacs.so.80.010.030750.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○__libm_sse2_sincosflibgromacs.so.80.010.030.011080.010.01libgromacs.so.8 (%): 100.00
○void _INTERNALad76a5e0::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat, _INTERNALad76a5e0::gmx::SimdFloat)libgromacs.so.80.010.030.011000.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►spread_on_grid#0x1475e76+libgromacs.so.80.010.040.01950.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 26472 - pme_spread.cpp:911-923 - libgromacs.so.8 [...]00.020520.000.00
►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.so.80.010.010620.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 6664 - grid.cpp:1241-1313 - libgromacs.so.8 [...]0.010.010620.000.00
○Loop 6663 - grid.cpp:1241-1346 - libgromacs.so.8 [...]00000.000.00
○Loop 6666 - grid.cpp:1259-1261 - libgromacs.so.800000.000.00
○Loop 6665 - grid.cpp:1259-1261 - libgromacs.so.800000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#113}>(nbnxm_kernel_ElecEw_...libgromacs.so.80.010.030.01740.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+libgromacs.so.80.010.030.011050.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23276 - mdatoms.cpp:446-448 - libgromacs.so.800000.000.00
►Loop 23275 - mdatoms.cpp:267-437 - libgromacs.so.8 [...]+00000.000.00
►Loop 23274 - mdatoms.cpp:267-437 - libgromacs.so.8 [...]+00000.000.00
○Loop 23273 - mdatoms.cpp:267-437 - libgromacs.so.8 [...]0.010.030.011030.010.01
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#99}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030630.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#95}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.040650.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#160}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.030580.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#10}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030.01790.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, gmx::lennardJonesInteractionsSigmaEpsilon<4, false, false, true, 4ul, 0ul, 4ul>(std::array<gmx::SimdFloat, 4ul> const&, std::array<gmx::SimdFBool, 0ul> const&, gmx::SimdFBool const*...libgromacs.so.80.010.040690.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#185}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.040.01860.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#37}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.040.01960.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#131}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.020.01760.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#40}>(nbnxm_kernel_ElecEw_V...libgromacs.so.80.010.040.01950.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►calc_vir#0x130629f+libgromacs.so.80.010.030.01840.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►Loop 22330 - calcvir.cpp:57-120 - libgromacs.so.8 [...]+00000.000.00
○Loop 22331 - calcvir.cpp:61-81 - libgromacs.so.8 [...]0.010.030.01800.010.00
○__kmpc_barrierlibiomp5.so0.010.060.01870.010.01OMP (%): 100.00
►_INTERNAL0808fbd2::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)+libgromacs.so.80.010.030.011070.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 7346 - pairlist.cpp:3115-3115 - libgromacs.so.8 [...]0.010.020600.010.00
►__intel_avx_memmove+gmx0.010.52010.000.00Memory (%): 100.00
○Loop 89 - - gmx00000.000.00
○Loop 123 - - gmx00000.000.00
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○Loop 133 - - gmx00.05010.000.00
○Loop 109 - - gmx00.01010.000.00
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○Loop 111 - - gmx00000.000.00
○Loop 131 - - gmx00000.000.00
○Loop 101 - - gmx00000.000.00
○Loop 132 - - gmx00000.000.00
○Loop 87 - - gmx00010.000.00
○Loop 80 - - gmx00000.000.00
○Loop 81 - - gmx00000.000.00
○Loop 99 - - gmx00000.000.00
○Loop 76 - - gmx00000.000.00
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○Loop 90 - - gmx00000.000.00
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○Loop 120 - - gmx00000.000.00
○Loop 121 - - gmx00.07010.000.00
○Loop 79 - - gmx00000.000.00
○Loop 138 - - gmx00000.000.00
○Loop 84 - - gmx00000.000.00
○Loop 136 - - gmx00000.000.00
○Loop 95 - - gmx00000.000.00
○Loop 83 - - gmx00000.000.00
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○Loop 139 - - gmx00000.000.00
○Loop 74 - - gmx00000.000.00
○Loop 97 - - gmx00000.000.00
○Loop 73 - - gmx00000.000.00
○Loop 85 - - gmx00000.000.00
○Loop 94 - - gmx00000.000.00
○Loop 72 - - gmx00000.000.00
○Loop 134 - - gmx00000.000.00
○std::array<gmx::SimdFloat, 4> genArr<4, nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)::{lambda(int)#35}>(nbnxm_kernel_ElecEw_Vd...libgromacs.so.80.010.030.01910.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4ul>::operator[](unsigned long)libgromacs.so.80.010.020610.010.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
►_INTERNAL9c2490dc::mtopGetMolblockIndex(gmx_mtop_t const&, int, int*, int*, int*)+libgromacs.so.80.010.020640.000.00libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
○Loop 23277 - mtop_lookup.h:93-106 - libgromacs.so.8 [...]00.01070.000.00
○__kmp_invoke_task_funclibiomp5.so0.010.030.01920.010.01OMP (%): 100.00
○_INTERNAL4936ffde::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*)libgromacs.so.80.010.030.011050.010.01libgromacs.so.8 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/wor...
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