options

Functions and Loops

247 loops and 474 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 run_0 (%) Max Time Over Threads run_0 (s) Time w.r.t. Wall Time run_0 (s) Nb Threads run_0 Deviation (coverage) run_0 Deviation (walltime) run_0 Categories run_0 Compilation Options
NameModuleCoverage run_0 (%)Max Time Over Threads run_0 (s)Time w.r.t. Wall Time run_0 (s)Nb Threads run_0Deviation (coverage) run_0Deviation (walltime) run_0Categories run_0Compilation Options
○_mpc_thread_ethread_mxn_engine_func_kernel_threadlibmpcthread.so.0.0.017.251715.021270.890.89
○_mpc_omp_callback_runlibmpcomp.so.0.0.014.522.3712.631284.844.23
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.8.0.07.189.686.261282.662.25libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26449 - fft5d.cpp:755-1382 - libgromacs_mpi.so.8.0.0 [...]+0.010.020.01900.010.00
►Loop 26459 - fft5d.cpp:804-855 - libgromacs_mpi.so.8.0.0 [...]+00060.000.00
►Loop 26460 - fft5d.cpp:804-855 - libgromacs_mpi.so.8.0.0 [...]+00.010210.000.00
►Loop 26461 - fft5d.cpp:804-855 - libgromacs_mpi.so.8.0.0 [...]+0.030.090.031270.020.02
○Loop 26464 - fft5d.cpp:853-855 - libgromacs_mpi.so.8.0.06.799.315.921282.562.16
○Loop 26463 - fft5d.cpp:853-855 - libgromacs_mpi.so.8.0.00.10.430.09960.100.09
○Loop 26462 - fft5d.cpp:853-855 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26474 - fft5d.cpp:755-1089 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 26475 - fft5d.cpp:779-1089 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 26476 - fft5d.cpp:783-789 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 26478 - fft5d.cpp:783-789 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26477 - fft5d.cpp:787-789 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26466 - fft5d.cpp:868-918 - libgromacs_mpi.so.8.0.0 [...]+00.010140.000.00
►Loop 26467 - fft5d.cpp:868-918 - libgromacs_mpi.so.8.0.0 [...]+000150.000.00
►Loop 26468 - fft5d.cpp:868-918 - libgromacs_mpi.so.8.0.0 [...]+0.020.040.011110.010.01
○Loop 26471 - fft5d.cpp:916-918 - libgromacs_mpi.so.8.0.00.220.50.191280.090.08
○Loop 26469 - fft5d.cpp:916-918 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26470 - fft5d.cpp:916-918 - libgromacs_mpi.so.8.0.000.010140.000.00
○Loop 26472 - fft5d.cpp:916-918 - libgromacs_mpi.so.8.0.000.01090.000.00
○Loop 26458 - fft5d.cpp:825-827 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26479 - fft5d.cpp:1064-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26480 - fft5d.cpp:1066-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26482 - fft5d.cpp:1069-1078 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26481 - fft5d.cpp:1071-1073 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26473 - fft5d.cpp:760-762 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26454 - fft5d.cpp:1064-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26455 - fft5d.cpp:1066-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26457 - fft5d.cpp:1069-1078 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26456 - fft5d.cpp:1071-1073 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26465 - fft5d.cpp:889-891 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26450 - fft5d.cpp:1064-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26451 - fft5d.cpp:1066-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26453 - fft5d.cpp:1069-1078 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26452 - fft5d.cpp:1071-1073 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26483 - fft5d.cpp:1064-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26484 - fft5d.cpp:1066-1080 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26486 - fft5d.cpp:1069-1078 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26485 - fft5d.cpp:1071-1073 - libgromacs_mpi.so.8.0.000000.000.00
○_mpc_common_spinlock_trylocklibmpclaunch.so.0.0.06.737.925.861281.090.90
○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_mpi.so.8.0.04.64.3841280.230.19libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs_mpi.so.8.0.04.033.953.521280.290.23libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 1669 - stl_iterator.h:1107-1240 - libgromacs_mpi.so.8.0.0 [...]+0.180.320.161280.060.05
○Loop 1674 - kernel_outer.h:431-431 - libgromacs_mpi.so.8.0.0 [...]2.483.132.161280.710.61
○Loop 1672 - kernel_outer.h:452-452 - libgromacs_mpi.so.8.0.0 [...]1.062.410.921280.860.73
○Loop 1675 - kernel_outer.h:423-426 - libgromacs_mpi.so.8.0.0 [...]0.130.20.111280.050.04
○Loop 1670 - kernel_outer.h:473-473 - libgromacs_mpi.so.8.0.0 [...]0.10.190.091120.050.04
○Loop 1673 - kernel_outer.h:444-447 - libgromacs_mpi.so.8.0.0 [...]0.080.20.071230.060.05
○Loop 1671 - kernel_outer.h:465-468 - libgromacs_mpi.so.8.0.0 [...]0.010.040.01970.010.01
○mpc_omp_barrierlibmpcomp.so.0.0.03.593.973.131280.450.39
►void _INTERNAL7040d793::clearBufferFlagged<3>(nbnxn_atomdata_t const&, int, gmx::ArrayRef<float>)+libgromacs_mpi.so.8.0.02.253.971.961280.800.69libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 6727 - kernel_common.cpp:54-78 - libgromacs_mpi.so.8.0.0 [...]+0.170.260.151280.040.03
○Loop 6728 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]2.083.821.811280.810.70
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+libgromacs_mpi.so.8.0.02.163.061.881280.750.63libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 25978 - pme_gather.cpp:76-348 - libgromacs_mpi.so.8.0.0 [...]+0.410.750.361270.180.15
○Loop 25977 - pme_gather.cpp:156-169 - libgromacs_mpi.so.8.0.0 [...]1.752.61.531280.650.55
►Loop 25982 - pme_gather.cpp:103-124 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 25981 - pme_gather.cpp:109-124 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 25984 - pme_gather.cpp:116-120 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 25986 - pme_gather.cpp:116-120 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 25983 - pme_gather.cpp:116-120 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 25985 - pme_gather.cpp:116-120 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 25980 - pme_gather.cpp:247-255 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 25979 - pme_gather.cpp:253-255 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►_INTERNAL0c5855d6::reduce_threadgrid_overlap(gmx_pme_t const*, pmegrids_t const*, int, float*, float*, float*, int)+libgromacs_mpi.so.8.0.01.572.061.371280.470.40libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26323 - pme_spread.cpp:523-702 - libgromacs_mpi.so.8.0.0 [...]+000100.000.00
►Loop 26324 - pme_spread.cpp:523-702 - libgromacs_mpi.so.8.0.0 [...]+00.010310.000.00
►Loop 26325 - pme_spread.cpp:523-702 - libgromacs_mpi.so.8.0.0 [...]+00.020650.010.00
►Loop 26334 - pme_spread.cpp:585-641 - libgromacs_mpi.so.8.0.0 [...]+0.020.060.011070.010.01
►Loop 26335 - pme_spread.cpp:585-641 - libgromacs_mpi.so.8.0.0 [...]+0.21.10.171280.220.19
○Loop 26336 - pme_spread.cpp:639-641 - libgromacs_mpi.so.8.0.00.911.630.791280.430.36
○Loop 26338 - pme_spread.cpp:639-641 - libgromacs_mpi.so.8.0.00.270.50.241280.110.09
○Loop 26339 - pme_spread.cpp:639-641 - libgromacs_mpi.so.8.0.00.170.370.151280.080.06
○Loop 26340 - pme_spread.cpp:639-641 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26337 - pme_spread.cpp:639-641 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26326 - pme_spread.cpp:683-702 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26327 - pme_spread.cpp:685-702 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26328 - pme_spread.cpp:700-702 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26330 - pme_spread.cpp:700-702 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26331 - pme_spread.cpp:700-702 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26329 - pme_spread.cpp:700-702 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26333 - pme_spread.cpp:693-695 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26332 - pme_spread.cpp:700-702 - libgromacs_mpi.so.8.0.000000.000.00
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+libgromacs_mpi.so.8.0.01.571.551.371280.110.09libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 1677 - kernel_outer.h:222-515 - libgromacs_mpi.so.8.0.0 [...]+0.040.070.031280.020.01
►Loop 1702 - kernel_outer.h:431-431 - libgromacs_mpi.so.8.0.0 [...]+0.590.770.521280.180.16
○Loop 1701 - kernel_inner.h:425-427 - libgromacs_mpi.so.8.0.0 [...]0.130.210.111280.050.04
○Loop 1700 - kernel_inner.h:421-423 - libgromacs_mpi.so.8.0.0 [...]0.120.180.111280.040.04
○Loop 1699 - kernel_inner.h:366-368 - libgromacs_mpi.so.8.0.0 [...]0.110.180.11280.040.04
○Loop 1698 - kernel_inner.h:323-326 - libgromacs_mpi.so.8.0.0 [...]0.030.080.031270.020.02
►Loop 1691 - kernel_outer.h:452-452 - libgromacs_mpi.so.8.0.0 [...]+0.110.290.11280.090.08
○Loop 1690 - kernel_inner.h:421-423 - libgromacs_mpi.so.8.0.0 [...]0.10.260.091280.090.07
○Loop 1687 - kernel_inner.h:323-326 - libgromacs_mpi.so.8.0.0 [...]0.080.190.071270.070.06
○Loop 1688 - kernel_inner.h:366-368 - libgromacs_mpi.so.8.0.0 [...]0.070.170.061260.050.05
○Loop 1689 - kernel_inner.h:393-395 - libgromacs_mpi.so.8.0.0 [...]0.040.10.031180.030.03
►Loop 1708 - kernel_outer.h:423-426 - libgromacs_mpi.so.8.0.0 [...]+0.030.060.021240.010.01
○Loop 1705 - kernel_inner.h:366-368 - libgromacs_mpi.so.8.0.0 [...]0.010.020.01900.000.00
○Loop 1707 - kernel_inner.h:425-427 - libgromacs_mpi.so.8.0.0 [...]0.010.020.01780.010.00
○Loop 1703 - kernel_inner.h:293-295 - libgromacs_mpi.so.8.0.0 [...]00.010250.000.00
○Loop 1706 - kernel_inner.h:421-423 - libgromacs_mpi.so.8.0.0 [...]00.010740.000.00
○Loop 1704 - kernel_inner.h:323-326 - libgromacs_mpi.so.8.0.0 [...]00.010350.000.00
►Loop 1697 - kernel_outer.h:444-447 - libgromacs_mpi.so.8.0.0 [...]+0.020.050.01980.020.01
○Loop 1693 - kernel_inner.h:323-326 - libgromacs_mpi.so.8.0.0 [...]0.010.050.01840.010.01
○Loop 1694 - kernel_inner.h:366-368 - libgromacs_mpi.so.8.0.0 [...]0.010.040.01670.010.01
○Loop 1692 - kernel_inner.h:293-295 - libgromacs_mpi.so.8.0.0 [...]0.010.040.01710.010.01
○Loop 1696 - kernel_inner.h:421-423 - libgromacs_mpi.so.8.0.0 [...]0.010.040.01850.010.01
○Loop 1695 - kernel_inner.h:393-395 - libgromacs_mpi.so.8.0.0 [...]00.020570.010.00
►Loop 1681 - kernel_outer.h:473-473 - libgromacs_mpi.so.8.0.0 [...]+0.010.040.01920.010.01
○Loop 1678 - kernel_inner.h:323-326 - libgromacs_mpi.so.8.0.0 [...]0.010.040.01820.010.01
○Loop 1679 - kernel_inner.h:393-395 - libgromacs_mpi.so.8.0.0 [...]0.010.020.01830.010.00
○Loop 1680 - kernel_inner.h:432-434 - libgromacs_mpi.so.8.0.0 [...]0.010.030.01770.010.01
○Loop 1676 - kernel_outer.h:358-361 - libgromacs_mpi.so.8.0.0 [...]0.010.020.01940.010.00
►Loop 1686 - kernel_outer.h:465-468 - libgromacs_mpi.so.8.0.0 [...]+00.010250.000.00
○Loop 1685 - kernel_inner.h:432-434 - libgromacs_mpi.so.8.0.0 [...]00.010150.000.00
○Loop 1683 - kernel_inner.h:323-326 - libgromacs_mpi.so.8.0.0 [...]00.010340.000.00
○Loop 1682 - kernel_inner.h:293-295 - libgromacs_mpi.so.8.0.0 [...]00.010220.000.00
○Loop 1684 - kernel_inner.h:393-395 - libgromacs_mpi.so.8.0.0 [...]00.010210.000.00
○__task_larcenylibmpcomp.so.0.0.01.522.581.321280.440.38
○mkl_dft_avx2_owns_cRealRecombine_32flibmkl_avx2.so.21.461.951.271280.480.41Math (%): 100.00
►__intel_avx_rep_memcpy+gmx_mpi1.271.981.111280.420.36Memory (%): 100.00
○Loop 67 - - gmx_mpi0.360.790.321280.150.12
○Loop 66 - - gmx_mpi00.02010.000.00
○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_mpi.so.8.0.01.071.310.931280.320.27libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►nbnxn_atomdata_add_nbat_f_to_f_reduce#0xcb8665+libgromacs_mpi.so.8.0.00.941.430.821280.300.26libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 6166 - atomdata.cpp:1022-1190 - libgromacs_mpi.so.8.0.0 [...]+00070.000.00
►Loop 6167 - atomdata.cpp:1022-1190 - libgromacs_mpi.so.8.0.0 [...]+0.010.030.01980.010.01
○Loop 6169 - atomdata.cpp:1176-1180 - libgromacs_mpi.so.8.0.0 [...]0.190.330.161280.050.04
►Loop 6170 - atomdata.cpp:1088-1190 - libgromacs_mpi.so.8.0.0 [...]+0.090.30.071230.050.04
○Loop 6171 - atomdata.cpp:1091-1190 - libgromacs_mpi.so.8.0.0 [...]0.591.020.521250.250.22
►Loop 6172 - atomdata.cpp:1075-1190 - libgromacs_mpi.so.8.0.0 [...]+0.010.110180.040.03
○Loop 6173 - atomdata.cpp:1078-1190 - libgromacs_mpi.so.8.0.0 [...]0.061.010.05280.350.30
○Loop 6168 - atomdata.cpp:1022-1024 - libgromacs_mpi.so.8.0.000000.000.00
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)+libgromacs_mpi.so.8.0.00.881.50.761280.250.21libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26301 - pme_spread.cpp:186-1023 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 26302 - pme_spread.cpp:186-1023 - libgromacs_mpi.so.8.0.0 [...]+00.010200.000.00
►Loop 26303 - pme_spread.cpp:188-199 - libgromacs_mpi.so.8.0.0 [...]+0.060.140.061280.030.02
○Loop 26304 - pme_spread.cpp:197-199 - libgromacs_mpi.so.8.0.0 [...]0.060.110.061280.020.02
►Loop 26305 - pme_spread.cpp:438-1023 - libgromacs_mpi.so.8.0.0 [...]+0.010.040.01970.010.01
►Loop 26306 - pme_spread.cpp:441-1023 - libgromacs_mpi.so.8.0.0 [...]+0.070.180.061280.040.03
○Loop 26307 - pme_spread.cpp:445-447 - libgromacs_mpi.so.8.0.00.661.210.581280.230.19
○Loop 26308 - pme_spread.cpp:441-445 - libgromacs_mpi.so.8.0.00.010.030.01860.010.00
○mkl_dft_avx2_ipps_cFFTfwd_64_32fclibmkl_avx2.so.20.871.160.761280.210.18Math (%): 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_mpi.so.8.0.00.841.030.731280.240.21libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►__intel_avx_rep_memset+gmx_mpi0.811.350.711280.330.28Memory (%): 100.00
○Loop 68 - - gmx_mpi0.160.790.141280.170.14
○__thread_task_pop_typelibmpcomp.so.0.0.00.81.560.71280.300.26
►_INTERNAL0c5855d6::calc_interpolation_idx(gmx_pme_t const*, PmeAtomComm*, int, int, int, int)+libgromacs_mpi.so.8.0.00.771.280.671280.270.23libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 26311 - pme_spread.cpp:104-145 - libgromacs_mpi.so.8.0.0 [...]0.651.10.561280.240.21
○Loop 26313 - pme_spread.cpp:172-174 - libgromacs_mpi.so.8.0.0 [...]0.110.170.091280.040.03
○Loop 26322 - pme_spread.cpp:96-98 - libgromacs_mpi.so.8.0.00.010.020.01900.010.00
○Loop 26312 - pme_spread.cpp:172-174 - libgromacs_mpi.so.8.0.0 [...]00050.000.00
○Loop 26320 - pme_spread.cpp:154-156 - libgromacs_mpi.so.8.0.000.020570.000.00
○Loop 26318 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 26314 - pme_spread.cpp:165-167 - libgromacs_mpi.so.8.0.000080.000.00
○Loop 26321 - pme_spread.cpp:104-133 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 26317 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 26315 - vector.tcc:635-635 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 26316 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 26319 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○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_mpi.so.8.0.00.760.750.661280.060.05libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Unknown functionlibgromacs_mpi.so.8.0.00.760.810.661280.090.07libgromacs_mpi.so.8.0.0 (%): 100.00
○mkl_dft_avx2_ownscDftInv_Fact4_32fclibmkl_avx2.so.20.610.780.531280.150.13Math (%): 100.00
○mkl_dft_avx2_ownscDftInv_Prime8_32fclibmkl_avx2.so.20.60.770.521280.150.13Math (%): 100.00
○_dl_update_slotinfold-2.28.so0.571.130.51280.240.21System (%): 99.69
OMP (%): 0.31
►_INTERNAL3c429584::gmx::lincs_matrix_expand(_INTERNAL3c429584::gmx::Lincs const&, (anonymous namespace)::Task const&, _INTERNAL3c429584::gmx::ArrayRef<float const>, _INTERNAL3c429584::gmx::ArrayRef<float>, _INTERNAL3c429584::gmx::ArrayR...+libgromacs_mpi.so.8.0.00.540.690.471280.110.09libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 23111 - lincs.cpp:328-348 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 23112 - lincs.cpp:330-348 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23113 - lincs.cpp:340-344 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23114 - lincs.cpp:340-344 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 23115 - lincs.cpp:340-344 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 23116 - lincs.cpp:278-295 - libgromacs_mpi.so.8.0.0 [...]+00.020310.000.00
►Loop 23117 - lincs.cpp:284-295 - libgromacs_mpi.so.8.0.0+0.220.370.191280.060.05
○Loop 23118 - lincs.cpp:290-292 - libgromacs_mpi.so.8.0.00.320.470.281280.090.07
○Loop 23119 - lincs.cpp:290-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 23120 - lincs.cpp:290-292 - libgromacs_mpi.so.8.0.000000.000.00
►_INTERNAL3c429584::gmx::lincs_update_atoms_ind(_INTERNAL3c429584::gmx::ArrayRef<int const>, _INTERNAL3c429584::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, _INTERNAL3c429584::gmx::ArrayRef<float const>, _INTERNAL3c429584::...+libgromacs_mpi.so.8.0.00.531.130.461280.150.13libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23125 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]0.531.120.461280.150.12
○Loop 23124 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]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)#105}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.531.290.461280.430.37libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL0c5855d6::spread_coefficients_bsplines_thread(pmegrid_t const*, PmeAtomComm const*, splinedata_t*, pme_spline_work*)+libgromacs_mpi.so.8.0.00.490.730.431280.160.14libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26354 - pme_spread.cpp:331-400 - libgromacs_mpi.so.8.0.0 [...]+0.480.730.421280.160.14
○Loop 26353 - pme_simd4.h:138-140 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 26356 - pme_spread.cpp:332-400 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 26355 - pme_spread.cpp:332-400 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 26357 - pme_spread.cpp:400-400 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26360 - pme_spread.cpp:400-400 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26359 - pme_spread.cpp:400-400 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26358 - pme_spread.cpp:400-400 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26361 - pme_spread.cpp:351-353 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26362 - pme_spread.cpp:351-353 - libgromacs_mpi.so.8.0.000000.000.00
○void _INTERNAL66acd248::gmx::__regcall3__gatherLoadUTranspose<3>(float const*, int const*, _INTERNAL66acd248::gmx::SimdFloat*, _INTERNAL66acd248::gmx::SimdFloat*, _INTERNAL66acd248::gmx::SimdFloat*)libgromacs_mpi.so.8.0.00.480.680.421280.140.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL0c5855d6::make_bsplines(float**, float**, int, float (*) [3], int, int const*, float const*, bool)+libgromacs_mpi.so.8.0.00.470.980.411280.240.20libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26342 - pme_spread.cpp:275-292 - libgromacs_mpi.so.8.0.0 [...]+0.470.980.411280.230.20
○Loop 26341 - pme_spread.cpp:291-291 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26343 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26348 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26349 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26347 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26346 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26345 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26350 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26351 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26352 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26344 - pme_spread.cpp:292-292 - libgromacs_mpi.so.8.0.000000.000.00
○__task_deletelibmpcomp.so.0.0.00.460.580.41280.100.09
○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_mpi.so.8.0.00.440.550.381280.130.11libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.440.580.381280.140.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.440.60.381280.140.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.420.550.371280.130.11libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#42}>(nbnxm_kernel_ElecE...libgromacs_mpi.so.8.0.00.360.480.321280.110.10libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#40}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.340.470.31280.110.10libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.340.790.31280.280.24libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.330.590.291280.120.10libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►finish_update#0x13f2bbd+libgromacs_mpi.so.8.0.00.330.440.291280.090.08libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23890 - update.cpp:1660-1664 - libgromacs_mpi.so.8.0.0 [...]0.330.440.291280.090.08
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.8.0.00.320.640.28890.140.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 6156 - atomdata.cpp:226-236 - libgromacs_mpi.so.8.0.00.310.60.27870.120.11
○Loop 6155 - atomdata.cpp:226-236 - libgromacs_mpi.so.8.0.00.010.050.01820.010.01
○Loop 6143 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 6146 - atomdata.cpp:161-165 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6150 - atomdata.cpp:180-184 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6151 - atomdata.cpp:180-184 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6145 - atomdata.cpp:161-163 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6148 - atomdata.cpp:154-163 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6144 - atomdata.cpp:161-165 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6158 - atomdata.cpp:193-203 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6159 - atomdata.cpp:193-203 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6147 - atomdata.cpp:154-158 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6153 - atomdata.cpp:172-182 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 6152 - atomdata.cpp:172-176 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6154 - atomdata.cpp:240-250 - libgromacs_mpi.so.8.0.000010.000.00
○Loop 6149 - atomdata.cpp:180-184 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6157 - atomdata.cpp:207-217 - libgromacs_mpi.so.8.0.000000.000.00
○update_get_addrld-2.28.so0.30.650.261280.130.12System (%): 99.80
OMP (%): 0.20
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALcc0e7ed4::(anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc co...+libgromacs_mpi.so.8.0.00.30.520.261280.100.08libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 25452 - bonded.cpp:1151-1255 - libgromacs_mpi.so.8.0.0 [...]0.30.520.261280.100.08
○_mpc_omp_task_init_attributeslibmpcomp.so.0.0.00.290.420.251280.080.07
○_mpc_omp_task_allocatelibmpcomp.so.0.0.00.290.450.251280.090.07
►void _INTERNAL66acd248::gmx::settleTemplate<_INTERNAL66acd248::gmx::SimdFloat, _INTERNAL66acd248::gmx::SimdFBool, 8, float const*, true, false>(_INTERNAL66acd248::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*...+libgromacs_mpi.so.8.0.00.280.450.241280.080.07libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23648 - settle.cpp:425-651 - libgromacs_mpi.so.8.0.0 [...]0.280.450.241280.080.07
►std::enable_if<std::is_same<float [3], float [3]>::value||std::is_same<float [3], float const [3]>::value, void>::type _INTERNAL3cd78672::updateMDLeapfrogSimpleSimd<(StoreUpdatedVelocities)0, (NumTempScaleValues)0, float [3]>(int, i...+libgromacs_mpi.so.8.0.00.250.430.221280.080.07libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23887 - update.cpp:486-486 - libgromacs_mpi.so.8.0.0 [...]0.250.430.221280.080.07
►reduceThreadForceBuffers#0xea8afa+libgromacs_mpi.so.8.0.00.240.470.211280.090.08libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 9768 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.8.0.0 [...]+00.020400.000.00
►Loop 9771 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.8.0.0 [...]+0.060.160.051280.040.03
○Loop 9772 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.8.0.0 [...]0.110.240.11280.050.05
○Loop 9769 - threaded_force_buffer.cpp:182-187 - libgromacs_mpi.so.8.0.0 [...]0.060.10.051280.020.02
○Loop 9770 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.8.0.0 [...]00.040490.010.01
○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_mpi.so.8.0.00.240.620.211280.200.17libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+libgromacs_mpi.so.8.0.00.230.290.21280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 4082 - kernel_prune.cpp:76-176 - libgromacs_mpi.so.8.0.0 [...]+0.010.020770.000.00
○Loop 4083 - kernel_prune.cpp:115-169 - libgromacs_mpi.so.8.0.0 [...]0.220.280.191280.040.03
○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_mpi.so.8.0.00.230.310.21280.070.06libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○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_mpi.so.8.0.00.220.520.191280.160.14libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__tls_get_addr_slowld-2.28.so0.220.880.191280.200.18System (%): 99.92
OMP (%): 0.08
○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_mpi.so.8.0.00.210.280.181280.070.06libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__scatter_instance_post_initlibmpcomp.so.0.0.00.20.270.181280.050.05
○__tls_get_addrld-2.28.so0.190.410.161280.090.07System (%): 99.95
OMP (%): 0.05
►_INTERNAL3c429584::gmx::__regcall3__calc_dr_x_xp_simd(int, int, _INTERNAL3c429584::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const (*) [3], float const*, float const*, float const*, float (*) [3], float*, floa...+libgromacs_mpi.so.8.0.00.190.350.171280.080.07libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23126 - lincs.cpp:845-875 - libgromacs_mpi.so.8.0.0 [...]0.190.350.171280.080.07
○std::array<gmx::SimdFloat, 4ul>::array()libgromacs_mpi.so.8.0.00.190.250.171280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#110}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.170.440.151280.150.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.170.440.151280.150.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.170.420.151280.140.12libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.160.420.141280.130.11libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_intel_fast_memcpygmx_mpi0.160.320.141250.090.08Memory (%): 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)#47}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.160.250.141280.060.05libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.150.230.131280.050.05libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL891436a1::makeClusterListSimd4xn(Nbnxm::Grid const&, NbnxnPairlistCpu*, int, int, int, bool, float const*, float, float, int*)+libgromacs_mpi.so.8.0.00.150.170.131280.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 7287 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.8.0.0 [...]0.090.130.081280.020.02
○Loop 7286 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.8.0.0 [...]0.030.050.031280.010.01
○Loop 7285 - pairlist_simd_4xm.h:268-273 - libgromacs_mpi.so.8.0.0 [...]0.010.020.01980.010.00
○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)#67}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.130.240.111280.050.04libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►void _INTERNAL891436a1::nbnxn_make_pairlist_part<NbnxnPairlistCpu>(Nbnxm::GridSet const&, Nbnxm::Grid const&, Nbnxm::Grid const&, PairsearchWork*, nbnxn_atomdata_t const*, gmx::ListOfLists<int> const&, float, PairlistType, int, ...+libgromacs_mpi.so.8.0.00.130.170.111280.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 7256 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 7267 - pairlist.cpp:2998-3000 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 7257 - pairlist.cpp:268-3246 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 7266 - pairlist.cpp:2998-3000 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 7258 - pairlist.cpp:2323-3625 - libgromacs_mpi.so.8.0.0 [...]+000120.000.00
►Loop 7259 - pairlist.cpp:2323-3618 - libgromacs_mpi.so.8.0.0 [...]+00.010200.000.00
►Loop 7260 - pairlist.cpp:2323-3618 - libgromacs_mpi.so.8.0.0 [...]+00.010330.000.00
►Loop 7261 - pairlist.cpp:2323-3618 - libgromacs_mpi.so.8.0.0 [...]+00.010360.000.00
►Loop 7262 - pairlist.cpp:3073-3587 - libgromacs_mpi.so.8.0.0 [...]+00.020610.000.00
►Loop 7263 - pairlist.cpp:3073-3587 - libgromacs_mpi.so.8.0.0 [...]+0.050.080.041280.020.01
○Loop 7264 - pairlist.cpp:3520-3524 - libgromacs_mpi.so.8.0.00.060.080.051280.020.01
○Loop 7265 - pairlist.cpp:3505-3509 - libgromacs_mpi.so.8.0.00.010.040.011200.010.01
○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)#99}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.130.330.111270.110.09libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+libgromacs_mpi.so.8.0.00.120.260.11050.070.06libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26036 - pme_grid.cpp:512-539 - libgromacs_mpi.so.8.0.0 [...]+00040.000.00
►Loop 26037 - pme_grid.cpp:518-539 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 26039 - pme_grid.cpp:518-522 - libgromacs_mpi.so.8.0.000.01070.000.00
○Loop 26038 - pme_grid.cpp:520-522 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 26040 - pme_grid.cpp:496-539 - libgromacs_mpi.so.8.0.0 [...]+00010.000.00
►Loop 26041 - pme_grid.cpp:496-539 - libgromacs_mpi.so.8.0.0 [...]+0.030.080.02960.020.02
○Loop 26042 - pme_grid.cpp:537-539 - libgromacs_mpi.so.8.0.00.090.210.08960.050.04
○Loop 26043 - pme_grid.cpp:535-539 - libgromacs_mpi.so.8.0.000060.000.00
►Loop 26044 - pme_grid.cpp:496-504 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 26045 - pme_grid.cpp:496-504 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 26046 - pme_grid.cpp:502-504 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26047 - pme_grid.cpp:500-504 - libgromacs_mpi.so.8.0.000.02010.000.00
○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_mpi.so.8.0.00.120.190.11280.040.04libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○mkl_dft_avx2_ownscDftFwd_Prime8_32fclibmkl_avx2.so.20.110.150.091280.030.03Math (%): 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)#127}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.110.30.11280.100.08libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.110.160.091280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#66}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.10.150.091280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#41}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.10.150.091280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○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_mpi.so.8.0.00.10.250.091280.070.06libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__kmp_invoke_microtasklibmpcarch.so.0.0.00.10.170.081280.030.03
○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_mpi.so.8.0.00.10.270.081280.080.07libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.10.160.081280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_INTERNALcc0e7ed4::(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat...libgromacs_mpi.so.8.0.00.10.180.081280.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►setupForceOutputs#0x13df560+libgromacs_mpi.so.8.0.00.10.160.091280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23701 - sim_util.cpp:473-473 - libgromacs_mpi.so.8.0.0 [...]0.10.160.091280.040.03
►_INTERNAL3c429584::gmx::do_lincs(_INTERNAL3c429584::gmx::ArrayRefWithPadding<_INTERNAL3c429584::gmx::BasicVector<float> const>, _INTERNAL3c429584::gmx::ArrayRefWithPadding<_INTERNAL3c429584::gmx::BasicVector<float> >, float const (*...+libgromacs_mpi.so.8.0.00.090.170.081280.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23103 - lincs.cpp:1252-1257 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 23105 - lincs.cpp:1243-1245 - libgromacs_mpi.so.8.0.0 [...]000160.000.00
○Loop 23101 - lincs.cpp:1265-1273 - libgromacs_mpi.so.8.0.0 [...]00.010330.000.00
○Loop 23104 - lincs.cpp:1252-1257 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 23108 - lincs.cpp:1146-1146 - libgromacs_mpi.so.8.0.0 [...]00.010410.000.00
►Loop 23109 - lincs.cpp:1133-1137 - libgromacs_mpi.so.8.0.0 [...]+00.010340.000.00
○Loop 23110 - lincs.cpp:1135-1137 - libgromacs_mpi.so.8.0.0 [...]0.070.130.061280.020.02
○Loop 23102 - lincs.cpp:1252-1257 - libgromacs_mpi.so.8.0.000000.000.00
►Loop 23106 - lincs.cpp:1171-1223 - libgromacs_mpi.so.8.0.0 [...]+00.010110.000.00
○Loop 23107 - lincs.cpp:1205-1205 - libgromacs_mpi.so.8.0.0 [...]0.010.030.01980.010.01
○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)#64}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.080.130.071280.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#63}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.080.150.071280.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#107}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.080.220.071270.070.06libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+libgromacs_mpi.so.8.0.00.080.170.071280.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 9899 - threaded_force_buffer.cpp:78-80 - libgromacs_mpi.so.8.0.0 [...]+0.070.170.061280.030.03
○Loop 9901 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 9900 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 9898 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.00.010.020.01760.010.01
►Loop 9892 - threaded_force_buffer.cpp:90-94 - libgromacs_mpi.so.8.0.0 [...]+00020.000.00
○Loop 9895 - threaded_force_buffer.cpp:92-94 - libgromacs_mpi.so.8.0.000.010190.000.00
○Loop 9896 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 9897 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 9894 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9893 - threaded_force_buffer.cpp:97-97 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○mpc__swapcontextlibmpcarch.so.0.0.00.080.130.071280.020.02
○std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long)libgromacs_mpi.so.8.0.00.080.160.071280.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.080.130.071280.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.8.0.00.080.120.071280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26213 - pme_solve.cpp:97-560 - libgromacs_mpi.so.8.0.0 [...]+0.010.040.011040.010.01
○Loop 26215 - pme_solve.cpp:554-560 - libgromacs_mpi.so.8.0.00.010.020.01790.000.00
○Loop 26242 - pme_solve.cpp:440-453 - libgromacs_mpi.so.8.0.00.010.020.01950.010.00
○Loop 26225 - pme_solve.cpp:521-530 - libgromacs_mpi.so.8.0.00.010.030.01960.010.01
○Loop 26219 - pme_solve.cpp:233-237 - libgromacs_mpi.so.8.0.0 [...]0.010.040.011180.010.01
○Loop 26221 - pme_solve.cpp:533-542 - libgromacs_mpi.so.8.0.00.010.020.011000.010.00
○Loop 26241 - pme_solve.cpp:456-469 - libgromacs_mpi.so.8.0.00.010.020.01890.010.00
○Loop 26229 - pme_solve.cpp:498-510 - libgromacs_mpi.so.8.0.000.020710.000.00
○Loop 26238 - pme_solve.cpp:472-474 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26237 - pme_solve.cpp:472-474 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26223 - pme_solve.cpp:533-542 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26220 - pme_solve.cpp:533-542 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26239 - pme_solve.cpp:472-474 - libgromacs_mpi.so.8.0.0000100.000.00
○Loop 26228 - pme_solve.cpp:498-510 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26227 - pme_solve.cpp:521-530 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26222 - pme_solve.cpp:533-542 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26230 - pme_solve.cpp:498-510 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26235 - pme_solve.cpp:233-237 - libgromacs_mpi.so.8.0.0 [...]00.010290.000.00
○Loop 26236 - pme_solve.cpp:472-474 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26232 - pme_solve.cpp:485-495 - libgromacs_mpi.so.8.0.000.010420.000.00
○Loop 26214 - pme_solve.cpp:554-560 - libgromacs_mpi.so.8.0.000010.000.00
○Loop 26226 - pme_solve.cpp:521-530 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26240 - pme_solve.cpp:472-474 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26218 - pme_solve.cpp:554-560 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26231 - pme_solve.cpp:485-495 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26234 - pme_solve.cpp:485-495 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26217 - pme_solve.cpp:554-560 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26233 - pme_solve.cpp:485-495 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26216 - pme_solve.cpp:554-560 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 26224 - pme_solve.cpp:521-530 - libgromacs_mpi.so.8.0.000000.000.00
►void _INTERNAL85763be5::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_mpi.so.8.0.00.070.120.061280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 25756 - pairs.cpp:863-894 - libgromacs_mpi.so.8.0.0 [...]0.070.110.061280.020.02
○_mpc_omp_task_schedulelibmpcomp.so.0.0.00.070.130.061280.040.03
○mkl_dft_avx2_ipps_cFFTinv_64_32fclibmkl_avx2.so.20.070.250.061280.070.06Math (%): 100.00
►_INTERNAL3c429584::gmx::__regcall3__calc_dist_iter_simd(int, int, _INTERNAL3c429584::gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float const (*) [3], float const*, float const*, float const*, float, float*, float*, bool*)+libgromacs_mpi.so.8.0.00.070.180.061280.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23121 - lincs.cpp:966-978 - libgromacs_mpi.so.8.0.0 [...]0.060.180.061280.030.03
○mkl_dft_avx2_ownscDftFwd_Fact4_32fclibmkl_avx2.so.20.070.130.061280.020.02Math (%): 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_mpi.so.8.0.00.070.20.061280.070.06libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○mkl_dft_avx2_ippsFFTFwd_RToPerm_32flibmkl_avx2.so.20.070.180.061200.050.04Math (%): 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)#54}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.060.130.051280.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 4ul>::operator[](unsigned long) constlibgromacs_mpi.so.8.0.00.060.110.051280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○mkl_dft_avx2_ownscDftFwd_Fact3_32fclibmkl_avx2.so.20.060.090.051280.020.02Math (%): 100.00
○mkl_dft_avx2_ownscDftInv_Fact3_32fclibmkl_avx2.so.20.060.10.051280.020.02Math (%): 100.00
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.8.0.00.060.120.061260.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 26009 - pme_grid.cpp:395-418 - libgromacs_mpi.so.8.0.0 [...]+00010.000.00
○Loop 26011 - pme_grid.cpp:395-404 - libgromacs_mpi.so.8.0.00.060.120.051260.040.03
○Loop 26010 - pme_grid.cpp:402-404 - libgromacs_mpi.so.8.0.000000.000.00
○mkl_dft_avx2_owns_cCcsRecombine_32flibmkl_avx2.so.20.050.120.041280.020.02Math (%): 100.00
○__mvp_wakeuplibmpcomp.so.0.0.00.050.120.051280.030.02
○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)#125}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.050.140.041240.040.04libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#46}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.050.080.041280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#59}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.050.10.051270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.050.090.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_mpc_spin_node_wakeuplibmpcomp.so.0.0.00.050.280.05320.060.05
○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_mpi.so.8.0.00.050.150.041210.040.04libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+libgromacs_mpi.so.8.0.00.050.080.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 10199 - pbc.cpp:911-921 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 10200 - pbc.cpp:1001-1018 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 10198 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]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)#15}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.050.080.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#42}>(nbnxm_kernel_Elec...libgromacs_mpi.so.8.0.00.040.080.031280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#101}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.040.120.041220.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.080.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.070.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.080.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○std::enable_if<(true)&&(((KernelLayout)0)==((KernelLayout)0)), std::array<gmx::SimdFBool, 4ul> >::type gmx::loadSimdPairInteractionMasks<true, (KernelLayout)0>(int, gmx::SimdFInt32*)libgromacs_mpi.so.8.0.00.040.060.041280.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.090.031100.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►void _INTERNAL68f26920::make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> &g...+libgromacs_mpi.so.8.0.00.040.080.031260.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 8529 - stl_vector.h:378-1934 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 8521 - localtopology.cpp:732-788 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 8523 - ga2la.h:114-118 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 8524 - iterator_interface.hpp:166-459 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 8525 - localtopology.cpp:732-788 - libgromacs_mpi.so.8.0.0 [...]+00.020650.000.00
►Loop 8527 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]+0.030.070.031260.020.02
○Loop 8528 - hashedmap.h:277-282 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 8526 - stl_algobase.h:2065-2065 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 8522 - hashedmap.h:277-282 - libgromacs_mpi.so.8.0.0 [...]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)#100}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.040.110.031190.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.10.031240.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_INTERNAL6b966d77::gmx::SimdFloat _INTERNAL6b966d77::gmx::__regcall3__exp<(MathOptimization)0>(_INTERNAL6b966d77::gmx::SimdFloat)libgromacs_mpi.so.8.0.00.040.070.031280.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.10.031180.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.110.031170.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type _INTERNALcc0e7ed4::(anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc con...+libgromacs_mpi.so.8.0.00.040.080.041280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 25462 - bonded.cpp:2059-2126 - libgromacs_mpi.so.8.0.0 [...]0.040.080.041280.020.02
○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_mpi.so.8.0.00.040.080.041280.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#11}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.040.080.031260.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.10.031240.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.040.090.041270.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#165}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.040.10.041080.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►void _INTERNAL66acd248::gmx::settleTemplate<_INTERNAL66acd248::gmx::SimdFloat, _INTERNAL66acd248::gmx::SimdFBool, 8, float const*, true, true>(_INTERNAL66acd248::gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*,...+libgromacs_mpi.so.8.0.00.040.070.031280.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23647 - settle.cpp:425-676 - libgromacs_mpi.so.8.0.0 [...]0.030.070.031280.020.01
○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)#63}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.030.10.031220.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.030.070.031280.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#53}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.030.060.031240.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALcc0e7ed4::(anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3],...+libgromacs_mpi.so.8.0.00.030.060.021280.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 25531 - bonded.cpp:129-2011 - libgromacs_mpi.so.8.0.0 [...]+0.020.050.021280.010.01
○Loop 25532 - bonded.cpp:1914-2008 - libgromacs_mpi.so.8.0.0 [...]00.010280.000.00
○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)#106}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.030.090.031200.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#1}>(nbnxm_kernel_ElecEw_Vdw...libgromacs_mpi.so.8.0.00.030.060.021230.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.030.120.031160.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_INTERNALcc0e7ed4::(anonymous namespace)::__regcall3__do_dih_fup_noshiftf_simd(int const*, int const*, int const*, int const*, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, gmx::SimdFloat, f...libgromacs_mpi.so.8.0.00.030.060.031280.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►calc_ke_part_normal#0x13b3012+libgromacs_mpi.so.8.0.00.030.070.031280.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 23230 - md_support.cpp:114-157 - libgromacs_mpi.so.8.0.0 [...]+00020.000.00
○Loop 23231 - md_support.cpp:139-157 - libgromacs_mpi.so.8.0.0 [...]0.030.070.031280.010.01
○Loop 23232 - md_support.cpp:132-132 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►float _INTERNAL85763be5::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_mpi.so.8.0.00.030.060.031280.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 25758 - pairs.cpp:125-824 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 25757 - pairs.cpp:125-824 - libgromacs_mpi.so.8.0.0 [...]0.030.060.031280.010.01
►int _INTERNAL68f26920::assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float...+libgromacs_mpi.so.8.0.00.030.10.031090.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 8553 - localtopology.cpp:417-577 - libgromacs_mpi.so.8.0.0 [...]+0.020.060.01950.020.01
►Loop 8562 - localtopology.cpp:506-514 - libgromacs_mpi.so.8.0.0 [...]+0.010.040.01890.010.01
○Loop 8563 - hashedmap.h:277-282 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 8559 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8560 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8554 - idef.h:245-247 - libgromacs_mpi.so.8.0.0 [...]00.010260.000.00
○Loop 8564 - hashedmap.h:277-282 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 8558 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8557 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8556 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000030.000.00
○Loop 8561 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8555 - vector.tcc:635-635 - libgromacs_mpi.so.8.0.0 [...]00010.000.00
○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)#67}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.030.060.031260.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#104}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.030.090.021190.030.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#64}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.030.060.031260.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL891436a1::setExclusionsForIEntry(Nbnxm::GridSet const&, NbnxnPairlistCpu*, bool, int, gmx::ListOfLists<int> const&)+libgromacs_mpi.so.8.0.00.030.060.021280.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 7299 - pairlist.cpp:1279-1282 - libgromacs_mpi.so.8.0.0000100.000.00
►Loop 7296 - pairlist.cpp:1330-1430 - libgromacs_mpi.so.8.0.0 [...]+00.010710.000.00
►Loop 7297 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]+0.010.040.011120.010.01
○Loop 7298 - pairlist.cpp:1341-1357 - libgromacs_mpi.so.8.0.0 [...]00.010730.000.00
►_INTERNALaac32b2f::nbnxn_atomdata_add_nbat_f_to_f_part(Nbnxm::GridSet const&, nbnxn_atomdata_t const&, nbnxn_atomdata_output_t const&, int, int, float (*) [3])+libgromacs_mpi.so.8.0.00.030.060.031280.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 6164 - atomdata.cpp:1142-1148 - libgromacs_mpi.so.8.0.0 [...]0.030.060.031280.010.01
○Loop 6162 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 6165 - atomdata.cpp:1132-1138 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 6163 - atomdata.cpp:1122-1128 - libgromacs_mpi.so.8.0.000000.000.00
○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)#71}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.030.110.031140.030.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#18}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.020.040.021200.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__libm_atan2f_l9libgromacs_mpi.so.8.0.00.020.050.011210.010.01libgromacs_mpi.so.8.0.0 (%): 100.00
○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_mpi.so.8.0.00.020.060.021050.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#97}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.020.070.021040.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○mkl_dft_avx2_ippsFFTInv_CCSToR_32flibmkl_avx2.so.20.020.160.021050.030.03Math (%): 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)#126}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.020.070.021060.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.060.01930.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.040.021230.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#39}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.020.040.021180.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_IO_vfprintflibc-2.28.so0.020.090.021220.010.01IO (%): 100.00
○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_mpi.so.8.0.00.020.070.021150.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.060.021020.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►gmx::ThreadForceBuffer<float [4]>::resizeBufferAndClearMask(int)+libgromacs_mpi.so.8.0.00.020.060.021100.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 9877 - threaded_force_buffer.cpp:122-122 - libgromacs_mpi.so.8.0.0 [...]0.020.060.021100.010.01
○Loop 9888 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9882 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9887 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00.01060.000.00
○Loop 9884 - stl_uninitialized.h:1091-1091 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9885 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9890 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 9889 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 9878 - alloc_traits.h:378-835 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9886 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9879 - vector.tcc:635-635 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9883 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9880 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9881 - stl_uninitialized.h:748-748 - libgromacs_mpi.so.8.0.0 [...]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)#127}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.020.060.011030.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.060.011030.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.040.011180.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*)+libgromacs_mpi.so.8.0.00.020.050.011140.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 23246 - mdatoms.cpp:267-437 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 23245 - mdatoms.cpp:267-437 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23244 - mdatoms.cpp:267-437 - libgromacs_mpi.so.8.0.0 [...]0.020.050.011130.010.01
○Loop 23247 - mdatoms.cpp:446-448 - libgromacs_mpi.so.8.0.0 [...]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)#79}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.020.080.021160.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.050.01920.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○mkl_dft_avx2_ownscDftFwd_PrimeFact_32fclibmkl_avx2.so.20.020.050.011170.010.01Math (%): 100.00
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type _INTERNALcc0e7ed4::(anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3]...+libgromacs_mpi.so.8.0.00.020.040.011200.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 25521 - bonded.cpp:445-1084 - libgromacs_mpi.so.8.0.0 [...]0.020.040.011200.010.01
○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)#19}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.020.060.021240.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL3c429584::gmx::lincs_thread_setup(_INTERNAL3c429584::gmx::Lincs*, int)+libgromacs_mpi.so.8.0.00.020.350.011070.040.03libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23140 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 23147 - lincs.cpp:1674-1682 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23148 - lincs.cpp:1679-1682 - libgromacs_mpi.so.8.0.0 [...]00.03010.000.00
►Loop 23141 - lincs.cpp:1779-1797 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23142 - stl_iterator.h:1107-1333 - libgromacs_mpi.so.8.0.0 [...]00010.000.00
○Loop 23146 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]00.18010.000.00
►Loop 23143 - lincs.cpp:1733-1741 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23145 - lincs.cpp:1738-1741 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23144 - lincs.cpp:1738-1741 - libgromacs_mpi.so.8.0.0 [...]00010.000.00
○Loop 23149 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]00.12010.000.00
►Loop 23138 - lincs.cpp:1687-1708 - libgromacs_mpi.so.8.0.0 [...]+00080.000.00
○Loop 23139 - lincs.cpp:1702-1708 - libgromacs_mpi.so.8.0.0 [...]0.010.030.011030.010.01
○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)#32}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.020.040.011190.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#122}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.020.050.01970.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.060.011030.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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 _INTERNAL3cd78672::updateMDLeapfrogSimple<(StoreUpdatedVelocities)0, (NumTempScaleValues)2, (ParrinelloRahmanVelocit...+libgromacs_mpi.so.8.0.00.020.040.021240.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23842 - update.cpp:367-393 - libgromacs_mpi.so.8.0.0 [...]0.020.040.021240.010.01
○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)#158}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.020.060.021060.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.050.021040.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.070.021060.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○sctk_swapcontextlibmpcthread.so.0.0.00.020.040.021270.010.01
►std::vector<std::array<unsigned long, 2ul>, std::allocator<std::array<unsigned long, 2ul> > >::_M_fill_insert(__gnu_cxx::__normal_iterator<std::array<unsigned long, 2ul>*, std::vector<std::array<unsigned long, 2ul>...+libgromacs_mpi.so.8.0.00.020.070.021230.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 7471 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.00.020.070.021220.010.01
○Loop 7470 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 7472 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 7469 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000050.000.00
○sctk_alloc_split_free_bloclibmpcalloc.so0.020.110.021110.020.02Others (%): 100.00
○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_mpi.so.8.0.00.020.070.021080.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.040.011180.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#2}>(nbnxm_kernel_ElecEw_Vdw...libgromacs_mpi.so.8.0.00.020.050.021230.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.080.021100.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#16}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.020.040.021180.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.040.021020.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.020.070.021070.020.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#114}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.020.060.021090.020.02libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○gmx::DiagonalMasker<4, (KernelLayout)0, (gmx::DiagonalMaskType)1>::maskArray(int, int, std::array<gmx::SimdFBool, 4ul>&) constlibgromacs_mpi.so.8.0.00.020.040.021240.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL8fb67974::calc_bonded_reduction_mask(int, gmx::ThreadForceBuffer<float [4]>*, InteractionDefinitions const&, int, bonded_threading_t const&)+libgromacs_mpi.so.8.0.00.020.040.011160.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 25690 - manage_threading.cpp:351-367 - libgromacs_mpi.so.8.0.0 [...]+000190.000.00
►Loop 25691 - manage_threading.cpp:363-367 - libgromacs_mpi.so.8.0.0 [...]+00080.000.00
○Loop 25692 - manage_threading.cpp:365-367 - libgromacs_mpi.so.8.0.0 [...]0.010.040.011120.010.01
○Loop 25689 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►_INTERNAL3c429584::gmx::set_matrix_indices(_INTERNAL3c429584::gmx::Lincs*, (anonymous namespace)::Task const&, _INTERNAL3c429584::gmx::ListOfLists<int> const&, bool)+libgromacs_mpi.so.8.0.00.020.040.021190.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 23152 - lincs.cpp:1986-2012 - libgromacs_mpi.so.8.0.0 [...]+0.010.020.01860.010.00
○Loop 23164 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]0.010.030.01960.010.01
►Loop 23155 - stl_heap.h:139-422 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23156 - stl_heap.h:140-144 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23157 - stl_heap.h:229-236 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23163 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]00.020490.010.01
►Loop 23153 - stl_iterator.h:1107-1240 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23154 - predefined_ops.h:98-98 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23158 - stl_heap.h:356-360 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 23160 - stl_algo.h:1886-1922 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 23159 - stl_iterator.h:1107-1257 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 23161 - predefined_ops.h:45-45 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23162 - predefined_ops.h:45-45 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○mkl_dft_avx2_ownscDftInv_PrimeFact_32fclibmkl_avx2.so.20.020.040.011160.010.01Math (%): 100.00
○_mpc_common_spinlock_trylock@pltlibmpcomp.so.0.0.00.010.020.01830.010.00
○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)#9}>(nbnxm_kernel_ElecEw_Vdw...libgromacs_mpi.so.8.0.00.010.020.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL891436a1::closeIEntry(NbnxnPairlistCpu*, int, bool, float, int, int)+libgromacs_mpi.so.8.0.00.010.040.011180.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 7271 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.8.0.0 [...]0.010.030740.000.00
○Loop 7276 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000080.000.00
○Loop 7272 - pairlist.cpp:2092-2096 - libgromacs_mpi.so.8.0.0 [...]00.020580.000.00
○Loop 7274 - vector.tcc:635-635 - libgromacs_mpi.so.8.0.0 [...]00010.000.00
○Loop 7273 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.8.0.000.010400.000.00
○Loop 7277 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 7275 - stl_algobase.h:909-910 - libgromacs_mpi.so.8.0.000010.000.00
○sctk_alloc_get_free_list_fastlibmpcalloc.so0.010.050.011060.010.01Others (%): 100.00
○sctk_alloc_merge_chunklibmpcalloc.so0.010.020.01910.010.00Others (%): 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)#120}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.030610.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.040.01960.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.020.01690.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#184}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.010.020650.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#113}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.040.01900.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►setupForceOutputs#0x13df26c+libgromacs_mpi.so.8.0.00.010.050.011140.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23703 - sim_util.cpp:473-473 - libgromacs_mpi.so.8.0.0 [...]0.010.050.011140.010.01
►_INTERNALf6d4bec3::Nbnxm::sort_cluster_on_flag(int, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<int>, int*)+libgromacs_mpi.so.8.0.00.010.040.01820.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 6574 - grid.cpp:816-868 - libgromacs_mpi.so.8.0.0 [...]+00.020480.000.00
○Loop 6580 - grid.cpp:825-825 - libgromacs_mpi.so.8.0.000.010260.000.00
○Loop 6575 - grid.cpp:855-857 - libgromacs_mpi.so.8.0.000010.000.00
○Loop 6577 - grid.cpp:851-853 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6579 - grid.cpp:823-834 - libgromacs_mpi.so.8.0.000.010540.000.00
○Loop 6578 - grid.cpp:851-853 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6576 - grid.cpp:855-857 - libgromacs_mpi.so.8.0.000000.000.00
►_INTERNAL891436a1::setBufferFlags(NbnxnPairlistCpu const&, int, int, std::array<unsigned long, 2ul>*, int)+libgromacs_mpi.so.8.0.00.010.030.011070.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 7295 - pairlist.cpp:3115-3115 - libgromacs_mpi.so.8.0.0 [...]00.020540.000.00
○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)#159}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.010.030.01850.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○sctk_alloc_free_list_insertlibmpcalloc.so0.010.020.01850.010.00Others (%): 100.00
○DftiComputeForwardlibmkl_intel_lp64.so.20.010.030.011130.010.01Math (%): 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)#99}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.010.030630.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#165}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.030680.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.030.011100.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.020.01650.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.060.01930.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#92}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.040.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○sctk_alloc_find_adapted_free_chunklibmpcalloc.so0.010.020750.000.00Others (%): 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)#123}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.040.01820.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.050.01960.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►nbnxn_atomdata_copy_x_to_nbat_x#0xcb5f8d+libgromacs_mpi.so.8.0.00.010.020720.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 6140 - atomdata.cpp:965-982 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 6141 - atomdata.cpp:969-982 - libgromacs_mpi.so.8.0.0 [...]+00.010160.000.00
○Loop 6142 - atomdata.cpp:977-982 - libgromacs_mpi.so.8.0.0 [...]00.020520.000.00
○__kmpc_for_static_finilibmpcomp.so.0.0.00.010.030.01870.010.01
○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)#17}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.030.01990.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►calc_vir#0x136dc6f+libgromacs_mpi.so.8.0.00.010.020.01810.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 22272 - calcvir.cpp:57-120 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 22273 - calcvir.cpp:61-81 - libgromacs_mpi.so.8.0.0 [...]0.010.020.01790.010.00
○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)#186}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.010.030.01760.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►void _INTERNAL65b36ca1::orderVector<gmx::BasicVector<float> >(gmx::ArrayRef<gmx_cgsort const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >)+libgromacs_mpi.so.8.0.00.010.990.0110.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 8728 - stl_algobase.h:383-385 - libgromacs_mpi.so.8.0.0 [...]0.010.690.0110.000.00
○Loop 8729 - iterator_interface.hpp:459-459 - libgromacs_mpi.so.8.0.0 [...]00.3010.000.00
►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_mpi.so.8.0.00.010.030.01980.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23834 - update.cpp:1198-1840 - libgromacs_mpi.so.8.0.0 [...]0.010.030.01950.010.01
○Loop 23833 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23832 - update.cpp:1840-1843 - libgromacs_mpi.so.8.0.000000.000.00
○void _INTERNALcc0e7ed4::gmx::__regcall3__transposeScatterIncrU<4>(float*, int const*, _INTERNALcc0e7ed4::gmx::SimdFloat, _INTERNALcc0e7ed4::gmx::SimdFloat, _INTERNALcc0e7ed4::gmx::SimdFloat)libgromacs_mpi.so.8.0.00.010.040.011060.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#3}>(nbnxm_kernel_ElecEw_Vdw...libgromacs_mpi.so.8.0.00.010.040.011000.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.020.01770.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_INTERNALa1b29f9f::(anonymous namespace)::calc_one_bond(int, int, InteractionDefinitions const&, gmx::ArrayRef<int const>, int, WorkDivision const&, float const (*) [3], float (*) [4], float (*) [3], t_forcerec const*, t_pbc const*, gmx_grppa...libgromacs_mpi.so.8.0.00.010.020710.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#35}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.030.01970.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+libgromacs_mpi.so.8.0.00.010.030.01720.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 26389 - fft.cpp:132-140 - libgromacs_mpi.so.8.0.00.010.030620.010.01
○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_mpi.so.8.0.00.010.050.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○compute_1d_small_fwdlibmkl_avx2.so.20.010.020780.000.00Math (%): 100.00
►gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...+libgromacs_mpi.so.8.0.00.010.020.011000.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 25866 - pme.cpp:1679-1694 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 25865 - array:99-99 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 25869 - pme.cpp:1442-1673 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 25871 - pme.cpp:1487-1489 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 25870 - pme.cpp:1494-1496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 25867 - pme.cpp:1505-1558 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 25868 - pme.cpp:1599-1671 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 25872 - pme.cpp:1220-1433 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 25873 - pme.cpp:1220-1228 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 25874 - pme.cpp:1177-1180 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 25862 - pme.cpp:1444-1445 - libgromacs_mpi.so.8.0.000000.000.00
○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_mpi.so.8.0.00.010.030.011090.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○compute_1d_small_bwdlibmkl_avx2.so.20.010.020730.000.00Math (%): 100.00
►apply#0x137471e+libgromacs_mpi.so.8.0.00.010.030.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 22348 - constr.cpp:591-610 - libgromacs_mpi.so.8.0.0 [...]00.020470.000.00
○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_mpi.so.8.0.00.010.040.011110.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.030.01900.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○mpc_omp_initlibmpcomp.so.0.0.00.010.020.01960.010.01
○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_mpi.so.8.0.00.010.030.01810.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#51}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.010.030.011070.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_mpc_omp_ompt_callback_sync_regionlibmpcomp.so.0.0.00.010.020850.000.00
►void _INTERNAL891436a1::copySelectedListRange<true>(nbnxn_ci_t const*, NbnxnPairlistCpu const*, NbnxnPairlistCpu*, std::array<unsigned long, 2ul>*, int, int, int)+libgromacs_mpi.so.8.0.00.010.040.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 7408 - vector.tcc:452-517 - libgromacs_mpi.so.8.0.0 [...]+000100.000.00
►Loop 7409 - pairlist.cpp:3735-3746 - libgromacs_mpi.so.8.0.0 [...]+0.010.030.01930.010.01
○Loop 7411 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 7410 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00020.000.00
○Loop 7412 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 7413 - stl_uninitialized.h:351-351 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○void std::allocator_traits<gmx::Allocator<float, gmx::AlignedAllocationPolicy> >::_S_destroy<gmx::Allocator<float, gmx::AlignedAllocationPolicy>, float>(gmx::Allocator<float, gmx::AlignedAllocationPolicy>&, float*, ...)libgromacs_mpi.so.8.0.00.010.6010.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.020690.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL3c429584::gmx::set_lincs_matrix_task(_INTERNAL3c429584::gmx::Lincs*, (anonymous namespace)::Task*, _INTERNAL3c429584::gmx::ArrayRef<float const>, int*, int*)+libgromacs_mpi.so.8.0.00.010.020.01850.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 23130 - lincs.cpp:1301-1374 - libgromacs_mpi.so.8.0.0 [...]+00070.000.00
►Loop 23131 - lincs.cpp:1305-1374 - libgromacs_mpi.so.8.0.0 [...]+0.010.020.01830.010.00
○Loop 23132 - stl_vector.h:1124-1124 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 23129 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]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)#36}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.020.01820.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__libm_sse2_sincosflibgromacs_mpi.so.8.0.00.010.030.011110.010.01libgromacs_mpi.so.8.0.0 (%): 100.00
○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_mpi.so.8.0.00.010.020.01950.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL70f4904a::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_mpi.so.8.0.00.010.020.01810.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 6737 - kerneldispatch.cpp:105-376 - libgromacs_mpi.so.8.0.0 [...]+00030.000.00
►Loop 6752 - kerneldispatch.cpp:115-127 - libgromacs_mpi.so.8.0.0+00000.000.00
►Loop 6751 - kerneldispatch.cpp:117-127 - libgromacs_mpi.so.8.0.0+00000.000.00
○Loop 6750 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6738 - kerneldispatch.cpp:267-307 - libgromacs_mpi.so.8.0.0 [...]00.010400.000.00
►Loop 6740 - kerneldispatch.cpp:115-127 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 6742 - kerneldispatch.cpp:115-127 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 6739 - kerneldispatch.cpp:115-127 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 6745 - kerneldispatch.cpp:115-127 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
○Loop 6746 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6747 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6748 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6743 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6744 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6741 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6749 - kerneldispatch.cpp:119-127 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6753 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○_mpc_thread_ethread_mxn_engine_wait_for_value_and_polllibmpcthread.so.0.0.00.010.040.011010.010.01
○sctk_alloc_find_first_free_non_empty_listlibmpcalloc.so0.010.030.011060.010.01Others (%): 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)#125}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.060.01920.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.030.011060.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○sctk_alloc_region_get_macro_bloclibmpcalloc.so0.010.020.01820.010.00Others (%): 100.00
○mpc_omp_conf_get@pltlibmpcomp.so.0.0.00.010.020.01870.010.01
○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)#160}>(nbnxm_kernel_ElecEw_V...libgromacs_mpi.so.8.0.00.010.040.01830.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.020.01840.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.020.01740.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○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_mpi.so.8.0.00.010.020630.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►spread_on_grid#0x14fda38+libgromacs_mpi.so.8.0.00.010.030740.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 26309 - pme_spread.cpp:911-923 - libgromacs_mpi.so.8.0.0 [...]00.010430.000.00
○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)#10}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.030.011040.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__tls_get_addr@pltlibmpcomp.so.0.0.00.010.030.011070.010.01
○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_mpi.so.8.0.00.010.040.011060.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.8.0.00.010.030.011060.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○std::array<gmx::SimdFBool, 4ul>::operator[](unsigned long)libgromacs_mpi.so.8.0.00.010.040.011110.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#96}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.030640.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○std::array<gmx::SimdFloat, 2ul>::array()libgromacs_mpi.so.8.0.00.010.030.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○sctk_alloc_chain_alloc_alignlibmpcalloc.so0.010.030.01860.010.00Others (%): 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)#100}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.020640.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_mpc_omp_task_schedule@pltlibmpcomp.so.0.0.00.010.040.011050.010.01
○constrain_lincs#0x13a87dclibgromacs_mpi.so.8.0.00.010.030.01970.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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)#124}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.050.01910.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__intel_wrapper_funclibmpcomp.so.0.0.00.010.030.01830.010.00
○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)#74}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.020680.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○DftiComputeBackwardlibmkl_intel_lp64.so.20.010.020.01900.000.00Math (%): 100.00
○void gmx::lennardJonesInteractionsSigmaEpsilon<4, false, 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_mpi.so.8.0.00.010.020630.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNAL0cdb2c1e::atoms_to_settles(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<std::vector<int, std::allocator<int> > const>, int, int, InteractionList*, std::vector<int, std::allocator<int&...+libgromacs_mpi.so.8.0.00.010.040.011060.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 8304 - domdec_constraints.cpp:206-254 - libgromacs_mpi.so.8.0.0 [...]+0.010.020.01820.010.01
►Loop 8305 - domdec_constraints.cpp:226-236 - libgromacs_mpi.so.8.0.0 [...]+0.010.030660.010.01
○Loop 8316 - hashedmap.h:277-282 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 8308 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8313 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8311 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8309 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8312 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 8307 - stl_algobase.h:921-922 - libgromacs_mpi.so.8.0.000020.000.00
►Loop 8314 - stl_vector.h:378-1919 - libgromacs_mpi.so.8.0.0 [...]+00050.000.00
○Loop 8315 - hashedmap.h:277-282 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►Loop 8310 - new_allocator.h:120-126 - libgromacs_mpi.so.8.0.0 [...]+00080.000.00
○Loop 8306 - vector.tcc:635-636 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 8317 - mtop_lookup.h:93-106 - libgromacs_mpi.so.8.0.0 [...]00030.000.00
►_INTERNAL2bddb1d5::postProcessForces(t_commrec const*, long, t_nrnb*, gmx_wallcycle*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ForceOutputs*, float (*) [3], t_mdatoms const*, t_forcerec const*, gmx::VirtualSitesHa...+libgromacs_mpi.so.8.0.00.010.040.011070.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 23710 - sim_util.cpp:150-150 - libgromacs_mpi.so.8.0.0 [...]0.010.040.011070.010.01
○mkl_dft_avx2_ippsDFTFwd_RToCCS_32flibmkl_avx2.so.20.010.030.01860.010.00Math (%): 100.00
►set_pbc_simd(t_pbc const*, float*)+libgromacs_mpi.so.8.0.00.010.020.01850.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 10273 - pbc_simd.cpp:59-61 - libgromacs_mpi.so.8.0.000000.000.00
○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)#106}>(nbnxm_kernel_ElecEw_...libgromacs_mpi.so.8.0.00.010.030.01800.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.030.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.050.01990.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○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_mpi.so.8.0.00.010.030.01860.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.050.01980.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_INTERNAL66acd248::__regcall3__pbc_dx_aiuc(float const*, gmx::SimdFloat const*, gmx::SimdFloat const*, gmx::SimdFloat*)libgromacs_mpi.so.8.0.00.010.020.01910.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.040.011090.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►gmx_pme_do#0x14da16f+libgromacs_mpi.so.8.0.00.010.020.01760.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○Loop 25863 - pme.cpp:1398-1407 - libgromacs_mpi.so.8.0.0 [...]00010.000.00
○void _INTERNALcc0e7ed4::gmx::__regcall3__transposeScatterDecrU<4>(float*, int const*, _INTERNALcc0e7ed4::gmx::SimdFloat, _INTERNALcc0e7ed4::gmx::SimdFloat, _INTERNALcc0e7ed4::gmx::SimdFloat)libgromacs_mpi.so.8.0.00.010.030.01850.010.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►_INTERNALf6d4bec3::Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+libgromacs_mpi.so.8.0.00.010.030.01770.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 6588 - grid.cpp:329-437 - libgromacs_mpi.so.8.0.0 [...]+00.030610.010.01
○Loop 6591 - grid.cpp:385-389 - libgromacs_mpi.so.8.0.0 [...]00.01060.000.00
○Loop 6592 - grid.cpp:397-402 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 6589 - grid.cpp:426-431 - libgromacs_mpi.so.8.0.000000.000.00
○Loop 6587 - alloc_traits.h:496-496 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 6590 - grid.cpp:415-420 - libgromacs_mpi.so.8.0.000.020530.010.00
►gmx::ThreadedForceBuffer<float [4]>::setupReduction()+libgromacs_mpi.so.8.0.00.011.330.0110.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 9932 - stl_vector.h:378-1934 - libgromacs_mpi.so.8.0.0 [...]+00000.000.00
►Loop 9929 - threaded_force_buffer.cpp:272-301 - libgromacs_mpi.so.8.0.0 [...]+00.01010.000.00
○Loop 9934 - threaded_force_buffer.cpp:278-280 - libgromacs_mpi.so.8.0.0 [...]0.011.320.0110.000.00
○Loop 9933 - threaded_force_buffer.cpp:278-280 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9930 - stl_iterator.h:294-453 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9931 - threaded_force_buffer.cpp:290-294 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9928 - basic_string.h:252-393 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
○Loop 9935 - stl_iterator.h:1107-1240 - libgromacs_mpi.so.8.0.0 [...]00000.000.00
►_INTERNALa1b29f9f::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_mpi.so.8.0.00.010.020.011020.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
►Loop 25674 - listed_forces.cpp:388-451 - libgromacs_mpi.so.8.0.0 [...]+00010.000.00
►Loop 25675 - listed_forces.cpp:388-451 - libgromacs_mpi.so.8.0.0 [...]+00.01060.000.00
○Loop 25673 - listed_forces.cpp:421-451 - libgromacs_mpi.so.8.0.0 [...]00.020640.000.00
○compute_1d_small_fwdlibmkl_avx2.so.20.010.020.01890.010.01Math (%): 100.00
○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)#30}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.020.01870.000.00libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_intel_fast_memsetgmx_mpi0.010.050.011110.010.01Memory (%): 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_mpi.so.8.0.00.010.040.011150.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○__libm_acosf_l9libgromacs_mpi.so.8.0.00.010.020.01880.010.00libgromacs_mpi.so.8.0.0 (%): 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)#69}>(nbnxm_kernel_ElecEw_Vd...libgromacs_mpi.so.8.0.00.010.030.01810.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_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_mpi.so.8.0.00.010.030.01940.010.01libgromacs_mpi.so.8.0.0 (%): 100.00Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 Intel(R) C++ Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 : /ccc/wor...
○_mpc_thread_ethread_mxn_engine_sched_yieldlibmpcthread.so.0.0.00.010.020780.000.00
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