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Profiling node ins01.benchmarkcenter.megware.com - process 20315 - thread 20315

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.040.5413.95
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.011.994.12
MPIDI_SHMGR_Gatherlibmpi.so.12.0.05.902.03
MPID_Progress_waitlibmpi.so.12.0.05.551.91
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.04.461.53
.omp_outlined..2libgromacs_mpi.so.9.0.03.751.29
impi_shm_heap_progresslibmpi.so.12.0.03.311.14
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.03.071.05
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+2.690.92
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+0.970.33
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+0.970.33
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+0.970.33
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.920.31
Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.060.02
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+0.920.31
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+0.920.31
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.920.31
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.540.18
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.380.13
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+0.800.27
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+0.800.27
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+0.770.26
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.390.13
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.380.13
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.030.01
MPIDI_SHMI_progresslibmpi.so.12.0.02.570.88
f64xsubf128libm.so.62.080.71
erfcflibm.so.61.850.63
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.01.850.63
MPID_Progress_completion_count_getlibmpi.so.12.0.01.190.41
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.01.030.35
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+0.970.33
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.280.09
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.250.08
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.190.06
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.170.06
Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.00.040.01
Loop 17447 - pme_solve.cpp:487-495 - libgromacs_mpi.so.9.0.00.010.00
Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.00.010.00
Loop 17442 - pme_solve.cpp:535-542 - libgromacs_mpi.so.9.0.00.010.00
I_MPI_memcpy_multipage_sselibmpi.so.12.0.00.920.31
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.20.920.31
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.20.740.25
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.700.24
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.680.23
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.610.21
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.490.17
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.490.17
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.460.16
Loop 17423 - pme_redistribute.cpp:265-398 - libgromacs_mpi.so.9.0.00.030.01
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.450.15
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.440.15
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.440.15
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.9.0.00.410.14
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.380.13
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.380.13
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.320.11
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.320.11
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.320.11
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.320.11
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.320.11
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.00.290.10
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.290.10
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.290.10
explibm.so.60.280.09
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.260.09
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.260.09
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.230.08
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.230.08
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.230.08
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.160.05
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.160.05
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.150.05
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.150.05
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.150.05
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.120.04
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.9.0.00.100.03
Loop 17322 - pme_grid.cpp:436-442 - libgromacs_mpi.so.9.0.0+0.100.03
Loop 17323 - pme_grid.cpp:438-442 - libgromacs_mpi.so.9.0.0+0.100.03
Loop 17325 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.100.03
compute_1d_small_fwdlibmkl_def.so.20.100.03
__memset_avx512_unaligned_ermslibc.so.60.090.03
MPIR_Waitalllibmpi.so.12.0.00.090.03
MPIDIG_send_origin_cblibmpi.so.12.0.00.090.03
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.070.02
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.070.02
unknown_functionlibgromacs_mpi.so.9.0.00.070.02
DftiComputeBackwardlibmkl_intel_lp64.so.20.060.02
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.060.02
Loop 17277 - pme_grid.cpp:191-256 - libgromacs_mpi.so.9.0.0+0.060.02
Loop 17280 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.060.02
compute_1d_small_fwdlibmkl_def.so.20.060.02
DftiComputeForwardlibmkl_intel_lp64.so.20.040.01
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.040.01
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.040.01
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.040.01
compute_1d_small_bwdlibmkl_def.so.20.040.01
mpi_combiner_2_hcoll_combinerlibmpi.so.12.0.00.040.01
MPIDIG_progress_compl_listlibmpi.so.12.0.00.040.01
mkl_dft_def_ippsDFTInv_CCSToR_32flibmkl_def.so.20.030.01
mkl_serv_verbose_modelibmkl_core.so.20.030.01
compute_1d_small_bwdlibmkl_def.so.20.030.01
I_MPI_memcpy_sselibmpi.so.12.0.00.030.01
MPI_Sendrecvlibmpi.so.12.0.00.030.01
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.030.01
do_lookup_xld-linux-x86-64.so.20.030.01
.plt.sec@startlibm.so.60.030.01
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.010.00
mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so.20.010.00
gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.010.00
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)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
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 17410 - pme_only.cpp:468-509 - libgromacs_mpi.so.9.0.00.010.00
.omp_outlined..49libgromacs_mpi.so.9.0.00.010.00
gmx::constr_recur(gmx::ListOfLists const&, std::array const&, gmx::ArrayRef, bool, int, int, int, gmx::ArrayRef, float, float, float*, int*)libgromacs_mpi.so.9.0.00.010.00
.omp_outlined..3#0xc01c30+libgromacs_mpi.so.9.0.00.010.00
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
MPID_Progress_yieldlibmpi.so.12.0.00.010.00
MPID_Progress_completion_count_incrlibmpi.so.12.0.00.010.00
MPIR_Wait_impllibmpi.so.12.0.00.010.00
MPI_Waitalllibmpi.so.12.0.00.010.00
.plt.got@startlibmkl_def.so.20.010.00
MPIR_Request_completion_processinglibmpi.so.12.0.00.010.00
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.010.00
mkl_dft_def_ownscDftInv_Fact4_32fc@pltlibmkl_def.so.20.010.00
mkl_dft_def_ownscDftInv_PrimeFact_32fc@pltlibmkl_def.so.20.010.00
MPIC_Isendlibmpi.so.12.0.00.010.00
mkl_dft_def_ownscDftFwd_Fact4_32fc@pltlibmkl_def.so.20.010.00
__GI___libc_freelibc.so.60.010.00
__GI___libc_malloclibc.so.60.010.00
MPIR_Alltoalllibmpi.so.12.0.00.010.00
__kmp_resume_if_soft_pausedlibomp.so0.010.00
__kmp_push_num_threadslibomp.so0.010.00
MPIDI_GPU_request_completelibmpi.so.12.0.00.010.00
MPIDI_GPU_request_create_hooklibmpi.so.12.0.00.010.00
MPI_Sendlibmpi.so.12.0.00.010.00
MPI_Recvlibmpi.so.12.0.00.010.00
__kmpc_end_serialized_parallellibomp.so0.010.00
__kmpc_global_thread_numlibomp.so0.010.00
MPI_Alltoalllibmpi.so.12.0.00.010.00
MPIR_Alltoall_intra_scattered_impllibmpi.so.12.0.00.010.00
_dl_lookup_symbol_xld-linux-x86-64.so.20.010.00
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