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Profiling node ins01.benchmarkcenter.megware.com - process 21189 - thread 21189

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.028.214.65
MPIDI_SHMGR_Gatherlibmpi.so.12.0.012.152.01
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.011.421.89
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+9.641.59
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+6.451.06
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+6.451.06
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+6.451.06
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.05.610.92
Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.850.14
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+2.330.38
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+2.330.38
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+2.270.37
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.01.210.20
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.01.060.17
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.060.01
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+0.850.14
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+0.850.14
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.820.14
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.550.09
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.270.05
Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.030.00
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.05.390.89
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.05.210.86
.omp_outlined..2libgromacs_mpi.so.9.0.04.640.76
f64xsubf128libm.so.64.480.74
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.03.970.65
erfcflibm.so.63.550.59
MPID_Progress_waitlibmpi.so.12.0.03.000.50
impi_shm_heap_progresslibmpi.so.12.0.01.700.28
MPIDI_SHMI_progresslibmpi.so.12.0.01.180.19
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.01.150.19
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+1.030.17
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.330.05
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.300.05
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.210.04
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.090.01
Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.00.030.00
Loop 17449 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.030.00
Loop 17442 - pme_solve.cpp:535-542 - libgromacs_mpi.so.9.0.00.030.00
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.9.0.01.000.17
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.970.16
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.970.16
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.940.16
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.850.14
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.20.820.13
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.700.11
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.610.10
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.610.10
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.580.10
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.580.10
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.580.10
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.580.10
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.00.580.10
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.580.09
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.390.06
Loop 1403 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.00.180.03
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.520.09
explibm.so.60.480.08
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.420.07
MPID_Progress_completion_count_getlibmpi.so.12.0.00.420.07
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.390.06
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.390.06
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.390.06
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.390.06
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.360.06
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.360.06
Loop 17277 - pme_grid.cpp:191-256 - libgromacs_mpi.so.9.0.0+0.120.02
Loop 17280 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.120.02
Loop 17283 - pme_grid.cpp:80-177 - libgromacs_mpi.so.9.0.0+0.060.01
Loop 17289 - pme_grid.cpp:160-177 - libgromacs_mpi.so.9.0.0+0.060.01
Loop 17290 - pme_grid.cpp:163-177 - libgromacs_mpi.so.9.0.0+0.060.01
Loop 17293 - pme_grid.cpp:166-177 - libgromacs_mpi.so.9.0.00.060.01
I_MPI_memcpy_sselibmpi.so.12.0.00.360.06
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.240.04
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.210.04
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.210.04
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.210.04
__memset_avx512_unaligned_ermslibc.so.60.240.04
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.210.04
MPIR_Sendrecv_impllibmpi.so.12.0.00.210.04
DftiComputeForwardlibmkl_intel_lp64.so.20.150.02
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.150.02
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.150.02
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.120.02
unknown_functionlibgromacs_mpi.so.9.0.00.120.02
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.090.01
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.090.01
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.090.01
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.030.00
MPIDIG_progress_compl_listlibmpi.so.12.0.00.090.01
MPI_Alltoalllibmpi.so.12.0.00.090.01
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.090.01
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.060.01
mkl_dft_def_ippsDFTInv_CCSToR_32flibmkl_def.so.20.060.01
mkl_serv_verbose_modelibmkl_core.so.20.060.01
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.060.01
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.9.0.00.060.01
Loop 17390 - pme_only.cpp:178-860 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17389 - pme_only.cpp:178-860 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17386 - pme_only.cpp:178-860 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17409 - pme_only.cpp:588-609 - libgromacs_mpi.so.9.0.00.030.00
.omp_outlined..49libgromacs_mpi.so.9.0.00.060.01
compute_1d_small_fwdlibmkl_def.so.20.060.01
_dl_lookup_symbol_xld-linux-x86-64.so.20.060.01
DftiComputeBackwardlibmkl_intel_lp64.so.20.030.00
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.030.00
mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so.20.030.00
gmx::CpuInfo::detect()libgromacs_mpi.so.9.0.00.030.00
spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int)libgromacs_mpi.so.9.0.00.030.00
.omp_outlined..51libgromacs_mpi.so.9.0.00.030.00
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.9.0.00.030.00
Loop 17204 - pme.cpp:1202-1414 - libgromacs_mpi.so.9.0.00.030.00
gmx::constr_recur(gmx::ListOfLists const&, std::array const&, gmx::ArrayRef, bool, int, int, int, gmx::ArrayRef, float, float, float*, int*)libgromacs_mpi.so.9.0.00.030.00
.omp_outlined..3#0xc01c30+libgromacs_mpi.so.9.0.00.030.00
Loop 14248 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 14249 - pme_grid.cpp:535-539 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 14251 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.00.030.00
compute_1d_small_fwdlibmkl_def.so.20.030.00
compute_1d_small_bwdlibmkl_def.so.20.030.00
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.030.00
MPI_Waitalllibmpi.so.12.0.00.030.00
mkl_dft_def_ownscDftInv_Fact4_32fc@pltlibmkl_def.so.20.030.00
mkl_dft_def_ownscDftInv_PrimeFact_32fc@pltlibmkl_def.so.20.030.00
__GI___sched_setaffinity_newlibc.so.60.030.00
I_MPI_memcpy_multipage_sselibmpi.so.12.0.00.030.00
MPIC_Isendlibmpi.so.12.0.00.030.00
mpi_combiner_2_hcoll_combinerlibmpi.so.12.0.00.030.00
int __kmp_barrier_template(barrier_type, int, int, unsigned long, void*, void (*)(void*, void*)) [clone .isra.33]libomp.so0.030.00
__GI___libc_malloclibc.so.60.030.00
MPIU_Selection_get_storagelibmpi.so.12.0.00.030.00
__kmp_get_global_thread_id_reglibomp.so0.030.00
__kmp_join_calllibomp.so0.030.00
MPIDI_GPU_request_freelibmpi.so.12.0.00.030.00
MPIDI_coll_invokelibmpi.so.12.0.00.030.00
MPI_Sendrecvlibmpi.so.12.0.00.030.00
OmptReturnAddressGuard::OmptReturnAddressGuard(int, void*)libomp.so0.030.00
gmx::InMemoryDeserializer::doFloat(float*)libgromacs_mpi.so.9.0.00.030.00
__tls_get_addrld-linux-x86-64.so.20.030.00
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