options

Profiling node ins01.benchmarkcenter.megware.com - process 21190 - thread 21190

NameModuleCoverage (%)Time (s)
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.029.044.83
MPIDI_SHMGR_Gatherlibmpi.so.12.0.012.422.06
fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+libgromacs_mpi.so.9.0.011.001.83
Loop 17631 - wallcycle.h:391-498 - libgromacs_mpi.so.9.0.0+4.030.67
Loop 17644 - fft5d.cpp:758-789 - libgromacs_mpi.so.9.0.0+1.830.30
Loop 17645 - fft5d.cpp:779-789 - libgromacs_mpi.so.9.0.0+1.830.30
Loop 17646 - fft5d.cpp:783-789 - libgromacs_mpi.so.9.0.0+1.530.25
Loop 17648 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.810.13
Loop 17647 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.720.12
Loop 17649 - fft5d.cpp:787-789 - libgromacs_mpi.so.9.0.00.300.05
Loop 17638 - fft5d.cpp:823-855 - libgromacs_mpi.so.9.0.0+1.230.21
Loop 17639 - fft5d.cpp:845-855 - libgromacs_mpi.so.9.0.0+1.230.21
Loop 17640 - fft5d.cpp:849-855 - libgromacs_mpi.so.9.0.0+1.230.21
Loop 17641 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.780.13
Loop 17642 - fft5d.cpp:853-855 - libgromacs_mpi.so.9.0.00.450.08
Loop 17632 - fft5d.cpp:887-918 - libgromacs_mpi.so.9.0.0+0.960.16
Loop 17633 - fft5d.cpp:908-918 - libgromacs_mpi.so.9.0.0+0.960.16
Loop 17634 - fft5d.cpp:912-918 - libgromacs_mpi.so.9.0.0+0.780.13
Loop 17636 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.450.07
Loop 17635 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.330.05
Loop 17637 - fft5d.cpp:916-918 - libgromacs_mpi.so.9.0.00.180.03
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.06.611.10
gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)libgromacs_mpi.so.9.0.04.990.83
f64xsubf128libm.so.64.630.77
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.04.390.73
.omp_outlined..2libgromacs_mpi.so.9.0.03.700.61
erfcflibm.so.62.920.48
MPID_Progress_waitlibmpi.so.12.0.02.710.45
impi_shm_heap_progresslibmpi.so.12.0.01.680.28
solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+libgromacs_mpi.so.9.0.01.350.22
Loop 17436 - pme_solve.cpp:233-560 - libgromacs_mpi.so.9.0.0+1.080.18
Loop 17440 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.420.07
Loop 17443 - pme_solve.cpp:521-530 - libgromacs_mpi.so.9.0.00.240.04
Loop 17444 - pme_solve.cpp:523-530 - libgromacs_mpi.so.9.0.00.120.02
Loop 17446 - pme_solve.cpp:498-510 - libgromacs_mpi.so.9.0.00.090.01
Loop 17441 - pme_solve.cpp:533-542 - libgromacs_mpi.so.9.0.00.090.01
Loop 17449 - pme_solve.cpp:233-233 - libgromacs_mpi.so.9.0.00.030.00
Loop 17437 - pme_solve.cpp:556-560 - libgromacs_mpi.so.9.0.00.030.00
Loop 17450 - pme_solve.cpp:474-474 - libgromacs_mpi.so.9.0.00.030.00
Loop 17438 - pme_solve.cpp:554-560 - libgromacs_mpi.so.9.0.00.030.00
MPIDI_SHMI_progresslibmpi.so.12.0.01.320.22
mkl_dft_def_ownscDftInv_Prime8_32fclibmkl_def.so.21.080.18
.omp_outlined.#0xc0af60+libgromacs_mpi.so.9.0.01.020.17
Loop 1401 - pme_redistribute.cpp:81-138 - libgromacs_mpi.so.9.0.0+0.990.16
Loop 1402 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.9.0.00.510.08
Loop 1403 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.9.0.00.480.08
mkl_dft_def_ownscDftFwd_Prime8_32fclibmkl_def.so.20.840.14
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.9.0.00.810.13
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.810.13
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.810.13
MPID_Progress_completion_count_getlibmpi.so.12.0.00.600.10
do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef const>, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.570.09
Loop 17422 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.9.0.0+0.570.09
Loop 17425 - pme_redistribute.cpp:345-367 - libgromacs_mpi.so.9.0.00.570.09
dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef >, bool)+libgromacs_mpi.so.9.0.00.570.09
Loop 17419 - pme_redistribute.cpp:455-468 - libgromacs_mpi.so.9.0.00.570.09
explibm.so.60.570.09
mkl_dft_def_ownscDftInv_Fact3_32fclibmkl_def.so.20.540.09
mkl_dft_def_owns_cRadix4InvNorm_32fclibmkl_def.so.20.450.08
mkl_dft_def_owns_cRadix4FwdNorm_32fclibmkl_def.so.20.420.07
mkl_dft_def_ownscDftInv_Fact4_32fclibmkl_def.so.20.390.07
mkl_dft_def_ownscDftFwd_Fact3_32fclibmkl_def.so.20.360.06
.omp_outlined.#0xc138b0+libgromacs_mpi.so.9.0.00.330.05
Loop 1387 - pme_spread.cpp:75-923 - libgromacs_mpi.so.9.0.0+0.330.05
Loop 1394 - pme_spread.cpp:104-133 - libgromacs_mpi.so.9.0.00.330.05
mkl_dft_def_owns_cRealRecombine_32flibmkl_def.so.20.300.05
gmx_sum_qgrid_dd(gmx_pme_t*, float*, int)+libgromacs_mpi.so.9.0.00.270.04
Loop 17283 - pme_grid.cpp:80-177 - libgromacs_mpi.so.9.0.0+0.210.03
Loop 17294 - pme_grid.cpp:117-127 - libgromacs_mpi.so.9.0.0+0.120.02
Loop 17295 - pme_grid.cpp:120-127 - libgromacs_mpi.so.9.0.0+0.120.02
Loop 17298 - pme_grid.cpp:123-127 - libgromacs_mpi.so.9.0.00.120.02
Loop 17289 - pme_grid.cpp:160-177 - libgromacs_mpi.so.9.0.0+0.090.01
Loop 17290 - pme_grid.cpp:163-177 - libgromacs_mpi.so.9.0.0+0.090.01
Loop 17293 - pme_grid.cpp:166-177 - libgromacs_mpi.so.9.0.00.090.01
Loop 17277 - pme_grid.cpp:191-256 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17280 - pme_grid.cpp:254-256 - libgromacs_mpi.so.9.0.00.030.00
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.270.04
I_MPI_memcpy_sselibmpi.so.12.0.00.240.04
MPIDIG_progress_compl_listlibmpi.so.12.0.00.210.04
__memset_avx512_unaligned_ermslibc.so.60.210.03
MPIDIG_send_origin_cblibmpi.so.12.0.00.210.03
mkl_dft_def_ownscDftFwd_Fact4_32fclibmkl_def.so.20.180.03
mkl_dft_def_owns_cCcsRecombine_32flibmkl_def.so.20.180.03
copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int)+libgromacs_mpi.so.9.0.00.180.03
Loop 17299 - pme_grid.cpp:299-309 - libgromacs_mpi.so.9.0.0+0.120.02
Loop 17300 - pme_grid.cpp:301-309 - libgromacs_mpi.so.9.0.0+0.120.02
Loop 17303 - pme_grid.cpp:303-309 - libgromacs_mpi.so.9.0.00.120.02
I_MPI_memcpy_multipage_sselibmpi.so.12.0.00.150.02
mkl_dft_def_ownscDftFwd_PrimeFact_32fclibmkl_def.so.20.120.02
copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+libgromacs_mpi.so.9.0.00.120.02
Loop 17305 - pme_grid.cpp:395-404 - libgromacs_mpi.so.9.0.0+0.120.02
Loop 17308 - pme_grid.cpp:402-404 - libgromacs_mpi.so.9.0.00.120.02
mkl_dft_def_ippsFFTInv_CCSToR_32flibmkl_def.so.20.090.01
mkl_dft_def_ownscDftInv_PrimeFact_32fclibmkl_def.so.20.090.01
.omp_outlined..3#0xc01c30+libgromacs_mpi.so.9.0.00.090.01
Loop 14248 - pme_grid.cpp:529-539 - libgromacs_mpi.so.9.0.0+0.060.01
Loop 14249 - pme_grid.cpp:535-539 - libgromacs_mpi.so.9.0.0+0.060.01
Loop 14251 - pme_grid.cpp:537-539 - libgromacs_mpi.so.9.0.00.060.01
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.090.01
.plt.sec@startlibm.so.60.090.01
DftiComputeForwardlibmkl_intel_lp64.so.20.060.01
DftiComputeBackwardlibmkl_intel_lp64.so.20.060.01
gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.060.01
PmeAtomComm::setNumAtoms(int)libgromacs_mpi.so.9.0.00.060.01
wrap_periodic_pmegrid(gmx_pme_t const*, float*)+libgromacs_mpi.so.9.0.00.060.01
Loop 17322 - pme_grid.cpp:436-442 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17323 - pme_grid.cpp:438-442 - libgromacs_mpi.so.9.0.0+0.030.00
Loop 17325 - pme_grid.cpp:440-442 - libgromacs_mpi.so.9.0.00.030.00
compute_1d_small_fwdlibmkl_def.so.20.060.01
MPIR_Waitalllibmpi.so.12.0.00.060.01
MPIR_Sendrecv_impllibmpi.so.12.0.00.060.01
syscalllibc.so.60.060.01
MPIC_Waitalllibmpi.so.12.0.00.060.01
MPIU_Selection_find_entrylibmpi.so.12.0.00.060.01
MPI_Irecvlibmpi.so.12.0.00.060.01
mkl_dft_def_ippsFFTFwd_RToPerm_32flibmkl_def.so.20.030.00
mkl_dft_def_ippsDFTFwd_RToCCS_32flibmkl_def.so.20.030.00
mkl_dft_def_ippsDFTInv_CToC_32fclibmkl_def.so.20.030.00
mkl_dft_def_ippsDFTFwd_CToC_32fclibmkl_def.so.20.030.00
gmx_parallel_3dfft_real_limits(gmx_parallel_3dfft*, int*, int*, int*)libgromacs_mpi.so.9.0.00.030.00
gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.030.00
gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)libgromacs_mpi.so.9.0.00.030.00
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.9.0.00.030.00
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..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
mkl_dft_def_transfer_ipp_mkl_errorlibmkl_def.so.20.030.00
compute_1d_small_bwdlibmkl_def.so.20.030.00
compute_1d_small_fwdlibmkl_def.so.20.030.00
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.030.00
MPID_Progress_completion_count_incrlibmpi.so.12.0.00.030.00
__kmp_invoke_microtasklibomp.so0.030.00
MPIDIG_send_long_req_target_msg_cblibmpi.so.12.0.00.030.00
MPIDIG_get_context_indexlibmpi.so.12.0.00.030.00
__kmp_push_num_threadslibomp.so0.030.00
MPIDI_GPU_request_freelibmpi.so.12.0.00.030.00
MPI_Sendrecvlibmpi.so.12.0.00.030.00
MPI_Recvlibmpi.so.12.0.00.030.00
MPIR_Alltoall_intra_scattered_impllibmpi.so.12.0.00.030.00
__I_MPI___intel_avx_rep_memcpylibmpifort.so.12.0.00.030.00
_dl_lookup_symbol_xld-linux-x86-64.so.20.030.00
do_lookup_xld-linux-x86-64.so.20.030.00
unknown_functionlibgromacs_mpi.so.9.0.00.030.00
×