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Profiling node ins01.benchmarkcenter.megware.com - process 19843 - thread 19843

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.038.0919.54
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.010.765.52
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.07.233.71
.omp_outlined..2libgromacs_mpi.so.9.0.05.642.89
MPID_Progress_waitlibmpi.so.12.0.05.562.85
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.04.022.06
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+3.751.92
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+1.570.80
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+1.570.80
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+1.570.80
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.01.490.76
Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.080.04
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+1.120.57
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+1.120.57
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+1.100.56
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.630.32
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.470.24
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.020.01
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+1.060.54
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+1.060.54
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+1.040.53
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.570.30
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.470.24
Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.020.01
MPIDI_SHMGR_Gatherlibmpi.so.12.0.03.581.83
impi_shm_heap_progresslibmpi.so.12.0.03.321.70
MPIDI_SHMI_progresslibmpi.so.12.0.02.381.22
f64xsubf128libm.so.61.490.76
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.01.360.70
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.01.320.68
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+1.250.64
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.290.15
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.270.14
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.260.13
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.210.11
Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.00.090.04
Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.00.060.03
Loop 17442 - pme_solve.cpp:535-542 - libgromacs_mpi.so.9.0.00.030.01
Loop 17449 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.010.00
Loop 17450 - pme_solve.cpp:474-474 - libgromacs_mpi.so.9.0.00.010.00
Loop 17454 - pme_solve.cpp:458-469 - libgromacs_mpi.so.9.0.00.010.00
I_MPI_memcpy_multipage_sselibmpi.so.12.0.01.210.62
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.21.130.58
erfcflibm.so.61.000.52
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.950.49
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.950.49
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.940.48
MPID_Progress_completion_count_getlibmpi.so.12.0.00.880.45
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.660.34
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.660.34
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.660.34
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.610.31
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.610.31
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.610.31
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.570.30
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.560.29
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.560.29
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.530.27
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.500.25
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.00.470.24
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.470.24
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.470.24
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.420.22
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.400.21
energyDrift(gmx::ArrayRef, gmx_ffparams_t const*, float, pot_derivatives_t const&, pot_derivatives_t const&, pot_derivatives_t const&, float, float, float, int, float)+libgromacs_mpi.so.9.0.00.310.16
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.300.15
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.300.15
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.310.16
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.250.13
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.210.11
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.210.11
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.240.12
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.220.11
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.220.11
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.220.11
__memset_avx512_unaligned_ermslibc.so.60.200.10
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.160.08
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.140.07
explibm.so.60.130.06
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.110.05
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.080.04
DftiComputeForwardlibmkl_intel_lp64.so.20.070.03
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.070.03
mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so.20.070.03
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.070.03
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.070.03
Loop 17277 - pme_grid.cpp:191-256 - libgromacs_mpi.so.9.0.0+0.070.03
Loop 17280 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.070.03
unknown_functionlibgromacs_mpi.so.9.0.00.070.03
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.060.03
DftiComputeBackwardlibmkl_intel_lp64.so.20.050.02
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.050.02
mkl_serv_verbose_modelibmkl_core.so.20.050.02
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.050.02
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.050.02
compute_1d_small_fwdlibmkl_def.so.20.050.02
compute_1d_small_bwdlibmkl_def.so.20.050.02
MPIDIG_send_origin_cblibmpi.so.12.0.00.050.02
__kmp_fork_calllibomp.so0.050.02
.omp_outlined..3#0xc01c30+libgromacs_mpi.so.9.0.00.040.02
Loop 14248 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 14249 - pme_grid.cpp:535-539 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 14251 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.00.030.01
compute_1d_small_bwdlibmkl_def.so.20.040.02
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.9.0.00.030.01
Loop 17322 - pme_grid.cpp:436-442 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 17323 - pme_grid.cpp:438-442 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 17325 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.030.01
mkl_dft_def_transfer_ipp_mkl_errorlibmkl_def.so.20.030.01
MPI_Isendlibmpi.so.12.0.00.030.01
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.020.01
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.020.01
compute_1d_small_fwdlibmkl_def.so.20.020.01
MPI_Waitalllibmpi.so.12.0.00.020.01
MPIR_Waitalllibmpi.so.12.0.00.020.01
MPIR_Sendrecv_impllibmpi.so.12.0.00.020.01
MPIC_Isendlibmpi.so.12.0.00.020.01
__GI___libc_freelibc.so.60.020.01
__kmp_serialized_parallellibomp.so0.020.01
MPI_Recvlibmpi.so.12.0.00.020.01
gmx_pmeonly(gmx_pme_t**, t_commrec const*, t_nrnb*, gmx_wallcycle*, gmx_walltime_accounting*, t_inputrec*, PmeRunMode, bool, bool, gmx::DeviceStreamManager const*)+libgromacs_mpi.so.9.0.00.010.00
Loop 17390 - pme_only.cpp:178-860 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 17389 - pme_only.cpp:178-860 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 17386 - pme_only.cpp:178-860 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 17409 - pme_only.cpp:588-609 - libgromacs_mpi.so.9.0.00.010.00
gmx_pme_do(gmx_pme_t*, gmx::ArrayRef const>, gmx::ArrayRef >, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::A...+libgromacs_mpi.so.9.0.00.010.00
Loop 17204 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.00.010.00
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)+libgromacs_mpi.so.9.0.00.010.00
Loop 14192 - new_allocator.h:111-162 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 14207 - calc_verletbuf.cpp:167-500 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 14208 - calc_verletbuf.cpp:167-500 - libgromacs_mpi.so.9.0.00.010.00
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.010.00
_int_freelibc.so.60.010.00
MPIDIG_dequeue_unexplibmpi.so.12.0.00.010.00
MPIDIG_progress_compl_listlibmpi.so.12.0.00.010.00
__kmp_join_calllibomp.so0.010.00
__kmpc_end_serialized_parallellibomp.so0.010.00
MPI_T_category_get_pvarslibmpi.so.12.0.00.010.00
gmx::InMemoryDeserializer::doInt(int*)+libgromacs_mpi.so.9.0.00.010.00
Loop 131 - inmemoryserializer.cpp:92-92 - libgromacs_mpi.so.9.0.00.010.00
_dl_lookup_symbol_xld-linux-x86-64.so.20.010.00
do_lookup_xld-linux-x86-64.so.20.010.00
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