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Profiling node ins01.benchmarkcenter.megware.com - process 20324 - thread 20324

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.035.2013.97
MPIDI_SHMGR_Gatherlibmpi.so.12.0.018.357.28
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.010.954.34
MPID_Progress_waitlibmpi.so.12.0.05.552.20
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.04.391.74
.omp_outlined..2libgromacs_mpi.so.9.0.03.521.40
impi_shm_heap_progresslibmpi.so.12.0.03.061.21
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.02.330.93
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+2.090.83
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+0.760.30
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+0.760.30
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+0.720.28
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.370.14
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.350.14
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.040.01
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+0.730.29
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+0.730.29
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.720.28
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.370.14
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.350.14
Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.010.00
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+0.600.24
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+0.600.24
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+0.600.24
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.600.24
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.01.800.72
MPIDI_SHMI_progresslibmpi.so.12.0.01.790.71
f64xsubf128libm.so.61.790.71
erfcflibm.so.61.340.53
MPID_Progress_completion_count_getlibmpi.so.12.0.00.960.38
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.930.37
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.00.710.28
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+0.630.25
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.160.06
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.150.06
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.100.04
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.090.04
Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.00.060.03
Loop 17447 - pme_solve.cpp:487-495 - libgromacs_mpi.so.9.0.00.030.01
Loop 17450 - pme_solve.cpp:474-474 - libgromacs_mpi.so.9.0.00.010.00
Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.00.010.00
Loop 17454 - pme_solve.cpp:458-469 - libgromacs_mpi.so.9.0.00.010.00
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.20.570.23
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.530.21
I_MPI_memcpy_multipage_sselibmpi.so.12.0.00.530.21
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.480.19
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.470.19
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.470.19
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.470.19
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.370.14
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.9.0.00.350.14
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.340.13
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.340.13
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.320.12
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.300.12
explibm.so.60.290.11
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.280.11
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.260.10
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.240.09
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.160.06
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.160.06
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.160.06
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.160.06
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.160.06
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.150.06
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.150.06
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.150.06
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.150.06
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.150.06
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.140.05
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.130.05
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.130.05
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.00.130.05
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.130.05
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.130.05
__memset_avx512_unaligned_ermslibc.so.60.110.04
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.090.04
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.9.0.00.090.04
Loop 17322 - pme_grid.cpp:436-442 - libgromacs_mpi.so.9.0.0+0.060.03
Loop 17323 - pme_grid.cpp:438-442 - libgromacs_mpi.so.9.0.0+0.060.03
Loop 17325 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.060.03
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.090.04
Loop 17277 - pme_grid.cpp:191-256 - libgromacs_mpi.so.9.0.0+0.090.04
Loop 17280 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.090.04
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.060.03
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.050.02
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.050.02
compute_1d_small_fwdlibmkl_def.so.20.050.02
MPIC_Irecvlibmpi.so.12.0.00.050.02
mkl_dft_def_ippsDFTInv_CCSToR_32flibmkl_def.so.20.040.01
mkl_dft_def_ippsDFTFwd_RToCCS_32flibmkl_def.so.20.040.01
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.040.01
.omp_outlined..3#0xc01c30+libgromacs_mpi.so.9.0.00.040.01
Loop 14248 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 14249 - pme_grid.cpp:535-539 - libgromacs_mpi.so.9.0.0+0.010.00
Loop 14251 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.00.010.00
MPIR_Waitalllibmpi.so.12.0.00.040.01
MPIDIG_send_origin_cblibmpi.so.12.0.00.040.01
.plt.sec@startlibm.so.60.040.01
DftiComputeBackwardlibmkl_intel_lp64.so.20.030.01
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.030.01
MPIR_Sendrecv_impllibmpi.so.12.0.00.030.01
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.030.01
MPIU_Selection_get_storagelibmpi.so.12.0.00.030.01
MPIDIG_enqueue_unexplibmpi.so.12.0.00.030.01
MPIDIG_progress_compl_listlibmpi.so.12.0.00.030.01
MPIDI_GPU_request_completelibmpi.so.12.0.00.030.01
MPIDI_coll_invokelibmpi.so.12.0.00.030.01
unknown_functionlibgromacs_mpi.so.9.0.00.030.01
DftiComputeForwardlibmkl_intel_lp64.so.20.010.00
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.010.00
mkl_serv_verbose_modelibmkl_core.so.20.010.00
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*)libgromacs_mpi.so.9.0.00.010.00
PmeAtomComm::setNumAtoms(int)libgromacs_mpi.so.9.0.00.010.00
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
.omp_outlined..49libgromacs_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
mkl_dft_def_transfer_ipp_mkl_errorlibmkl_def.so.20.010.00
compute_1d_small_fwdlibmkl_def.so.20.010.00
compute_1d_small_bwdlibmkl_def.so.20.010.00
MPID_Progress_completion_count_incrlibmpi.so.12.0.00.010.00
mpi_combiner_2_hcoll_combinerlibmpi.so.12.0.00.010.00
MPIU_Selection_set_coll_match_patternlibmpi.so.12.0.00.010.00
.omp_outlined.#0xc018f0libgromacs_mpi.so.9.0.00.010.00
__kmp_fork_calllibomp.so0.010.00
MPIDI_GPU_request_create_hooklibmpi.so.12.0.00.010.00
MPI_Sendrecvlibmpi.so.12.0.00.010.00
MPI_Isendlibmpi.so.12.0.00.010.00
__kmpc_end_serialized_parallellibomp.so0.010.00
MPIR_Alltoall_intra_scattered_impllibmpi.so.12.0.00.010.00
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.010.00
gmx::InMemoryDeserializer::doInt(int*)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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