options

Profiling node ins01.benchmarkcenter.megware.com - process 20299 - thread 20299

NameModuleCoverage (%)Time (s)
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)0>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (...+libgromacs_mpi.so.9.0.046.7918.60
Loop 834 - simd_kernel.h:273-545 - libgromacs_mpi.so.9.0.0+45.8718.23
Loop 839 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.029.5211.73
Loop 837 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.014.375.71
Loop 840 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.01.170.47
Loop 838 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.00.820.33
MPIDI_SHMGR_Gatherlibmpi.so.12.0.014.025.57
void gmx::nbnxmKernelSimd<(KernelLayout)1, (gmx::KernelCoulombType)1, (VdwCutoffCheck)0, (LJCombinationRule)1, (InteractionModifiers)1, (LJEwald)0, (EnergyOutput)1>(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (...+libgromacs_mpi.so.9.0.08.373.33
Loop 841 - simd_kernel.h:273-555 - libgromacs_mpi.so.9.0.0+8.253.28
Loop 846 - simd_kernel.h:476-476 - libgromacs_mpi.so.9.0.05.202.06
Loop 844 - simd_kernel.h:497-497 - libgromacs_mpi.so.9.0.02.651.05
Loop 845 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.00.210.09
Loop 847 - impl_x86_avx_512_simd_float.h:70-461 - libgromacs_mpi.so.9.0.00.190.07
ADIOI_GEN_SetLockDirect64libmpi.so.12.0.05.862.33
f64xsubf128libm.so.63.351.33
energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)libgromacs_mpi.so.9.0.03.171.26
erfcflibm.so.62.551.01
.omp_outlined..9#0x65dd70+libgromacs_mpi.so.9.0.01.930.76
Loop 1743 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1742 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1741 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1740 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1739 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1738 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1737 - pairlist.cpp:162-4126 - libgromacs_mpi.so.9.0.0+0.830.33
Loop 1750 - pairlist.cpp:162-4104 - libgromacs_mpi.so.9.0.0+0.740.29
Loop 1751 - pairlist.cpp:162-4104 - libgromacs_mpi.so.9.0.0+0.740.29
Loop 1764 - pairlist.cpp:3503-3505 - libgromacs_mpi.so.9.0.00.400.16
Loop 1757 - pairlist_simd_2xmm.h:130-174 - libgromacs_mpi.so.9.0.00.230.09
Loop 1756 - pairlist_simd_2xmm.h:185-229 - libgromacs_mpi.so.9.0.00.110.04
Loop 1736 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0+0.050.02
Loop 1735 - pairlist.cpp:233-4126 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 1769 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.00.010.01
Loop 1768 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.00.010.01
Loop 1766 - pairlist.cpp:291-293 - libgromacs_mpi.so.9.0.00.010.01
Loop 1767 - pairlist.cpp:282-286 - libgromacs_mpi.so.9.0.00.010.01
Loop 1773 - pairlist.cpp:2099-2101 - libgromacs_mpi.so.9.0.00.010.01
Loop 1778 - pairlist.cpp:2082-2086 - libgromacs_mpi.so.9.0.00.010.01
Loop 1749 - pairlist.cpp:1279-1282 - libgromacs_mpi.so.9.0.00.010.01
gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)+libgromacs_mpi.so.9.0.01.060.42
Loop 14947 - lincs.cpp:278-295 - libgromacs_mpi.so.9.0.0+0.650.26
Loop 14948 - lincs.cpp:284-295 - libgromacs_mpi.so.9.0.0+0.650.26
Loop 14950 - lincs.cpp:290-292 - libgromacs_mpi.so.9.0.00.650.26
MPIR_Progress_hook_exec_on_vcilibmpi.so.12.0.00.970.38
.omp_outlined..37+libgromacs_mpi.so.9.0.00.870.35
Loop 14926 - lincs.cpp:845-857 - libgromacs_mpi.so.9.0.00.480.19
Loop 14920 - lincs.cpp:845-1223 - libgromacs_mpi.so.9.0.0+0.250.10
Loop 14921 - lincs.cpp:966-992 - libgromacs_mpi.so.9.0.00.250.10
Loop 14924 - lincs.cpp:1133-1137 - libgromacs_mpi.so.9.0.0+0.060.03
Loop 14925 - lincs.cpp:1135-1137 - libgromacs_mpi.so.9.0.00.060.03
Loop 14923 - lincs.cpp:1146-1148 - libgromacs_mpi.so.9.0.00.030.01
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayR...+libgromacs_mpi.so.9.0.00.860.34
Loop 16801 - bonded.cpp:2066-2126 - libgromacs_mpi.so.9.0.0+0.050.02
Loop 16802 - bonded.cpp:2072-2087 - libgromacs_mpi.so.9.0.00.050.02
void nbnxmSimdPruneKernel<(KernelLayout)1>(NbnxnPairlistCpu*, nbnxn_atomdata_t const&, gmx::ArrayRef const>, float)+libgromacs_mpi.so.9.0.00.810.32
Loop 2671 - simd_prune_kernel.cpp:106-213 - libgromacs_mpi.so.9.0.0+0.770.31
Loop 2672 - simd_prune_kernel.cpp:144-204 - libgromacs_mpi.so.9.0.00.770.31
copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+libgromacs_mpi.so.9.0.00.740.30
Loop 1323 - atomdata.cpp:226-233 - libgromacs_mpi.so.9.0.00.340.14
do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef, ...+libgromacs_mpi.so.9.0.00.730.29
Loop 17095 - vec.h:141-345 - libgromacs_mpi.so.9.0.00.250.10
Loop 17097 - pairs.cpp:873-911 - libgromacs_mpi.so.9.0.0+0.110.04
Loop 17098 - pairs.cpp:879-904 - libgromacs_mpi.so.9.0.00.110.04
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.9.0.00.650.26
Loop 14220 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.0+0.650.26
Loop 14221 - calc_verletbuf.cpp:606-849 - libgromacs_mpi.so.9.0.00.650.26
MPID_Progress_waitlibmpi.so.12.0.00.600.24
std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::Array...libgromacs_mpi.so.9.0.00.490.20
gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding const>, gmx::ArrayRefWithPadding >, float, gmx::ArrayRefWithPadding >, bool, float (*) [3], bool*)+libgromacs_mpi.so.9.0.00.400.16
Loop 15263 - settle.cpp:425-425 - libgromacs_mpi.so.9.0.00.390.16
Loop 15264 - settle.cpp:425-657 - libgromacs_mpi.so.9.0.00.010.01
impi_shm_heap_progresslibmpi.so.12.0.00.380.15
_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@608libgromacs_mpi.so.9.0.00.350.14
gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef, gmx::ArrayRef const>, gmx::ArrayRef, float (*) [3])+libgromacs_mpi.so.9.0.00.310.12
Loop 14952 - lincs.cpp:376-391 - libgromacs_mpi.so.9.0.00.310.12
dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*)+libgromacs_mpi.so.9.0.00.300.12
Loop 2991 - domdec.cpp:367-453 - libgromacs_mpi.so.9.0.0+0.290.11
Loop 2992 - domdec.cpp:381-453 - libgromacs_mpi.so.9.0.0+0.290.11
Loop 2993 - domdec.cpp:415-419 - libgromacs_mpi.so.9.0.00.290.11
explibm.so.60.280.11
MPIDI_SHMI_progresslibmpi.so.12.0.00.260.11
int assignInteractionsForAtom(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef const>, InteractionDefinitions*, int, gmx::D...+libgromacs_mpi.so.9.0.00.240.10
Loop 3351 - localtopology.cpp:323-577 - libgromacs_mpi.so.9.0.0+0.040.01
Loop 3353 - localtopology.cpp:506-531 - libgromacs_mpi.so.9.0.0+0.040.01
Loop 3354 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.040.01
.omp_outlined.+libgromacs_mpi.so.9.0.00.230.09
Loop 1597 - atomdata.cpp:961-982 - libgromacs_mpi.so.9.0.0+0.230.09
Loop 1598 - atomdata.cpp:965-982 - libgromacs_mpi.so.9.0.0+0.230.09
Loop 1599 - atomdata.cpp:973-982 - libgromacs_mpi.so.9.0.00.230.09
.omp_outlined..28+libgromacs_mpi.so.9.0.00.210.08
Loop 1600 - atomdata.cpp:1113-1257 - libgromacs_mpi.so.9.0.0+0.210.08
Loop 1603 - atomdata.cpp:1137-1143 - libgromacs_mpi.so.9.0.00.210.08
void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int)libgromacs_mpi.so.9.0.00.190.07
MPID_Progress_completion_count_getlibmpi.so.12.0.00.180.07
bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*)libgromacs_mpi.so.9.0.00.150.06
atanflibm.so.60.150.06
dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], gmx::BasicVector*, gmx::BasicVector*, bool)+libgromacs_mpi.so.9.0.00.130.05
Loop 3206 - domdec_specatomcomm.cpp:189-358 - libgromacs_mpi.so.9.0.0+0.130.05
Loop 3231 - domdec_specatomcomm.cpp:202-252 - libgromacs_mpi.so.9.0.0+0.090.03
Loop 3233 - domdec_specatomcomm.cpp:222-232 - libgromacs_mpi.so.9.0.0+0.050.02
Loop 3234 - domdec_specatomcomm.cpp:229-232 - libgromacs_mpi.so.9.0.00.040.01
Loop 3235 - domdec_specatomcomm.cpp:229-232 - libgromacs_mpi.so.9.0.00.010.01
Loop 3232 - stl_iterator.h:1054-1182 - libgromacs_mpi.so.9.0.00.040.01
Loop 3224 - domdec_specatomcomm.cpp:285-287 - libgromacs_mpi.so.9.0.00.040.01
.omp_outlined.#0xb09d40libgromacs_mpi.so.9.0.00.130.05
dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef >, gmx_wallcycle*)+libgromacs_mpi.so.9.0.00.110.04
Loop 2980 - domdec.cpp:273-351 - libgromacs_mpi.so.9.0.0+0.110.04
Loop 2981 - domdec.cpp:275-345 - libgromacs_mpi.so.9.0.0+0.110.04
Loop 2989 - domdec.cpp:289-291 - libgromacs_mpi.so.9.0.00.110.04
gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*)+libgromacs_mpi.so.9.0.00.100.04
Loop 17416 - pme_pp.cpp:604-604 - libgromacs_mpi.so.9.0.00.090.04
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, ...+libgromacs_mpi.so.9.0.00.100.04
Loop 16899 - functions.h:164-321 - libgromacs_mpi.so.9.0.00.100.04
__memset_avx512_unaligned_ermslibc.so.60.100.04
void make_exclusions_zone(gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef, std::vector > const&, gmx::ArrayRef, gmx::ListOfLists+libgromacs_mpi.so.9.0.00.100.04
Loop 3325 - localtopology.cpp:738-788 - libgromacs_mpi.so.9.0.0+0.050.02
Loop 3329 - range.h:123-123 - libgromacs_mpi.so.9.0.0+0.050.02
Loop 3330 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.050.02
__acosf_finitelibm.so.60.100.04
.omp_outlined..65+libgromacs_mpi.so.9.0.00.090.04
Loop 15389 - update.cpp:1703-1706 - libgromacs_mpi.so.9.0.00.090.04
dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*)libgromacs_mpi.so.9.0.00.080.03
pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)libgromacs_mpi.so.9.0.00.080.03
I_MPI_memcpy_sselibmpi.so.12.0.00.080.03
.plt.sec@startlibm.so.60.080.03
.omp_outlined..70+libgromacs_mpi.so.9.0.00.060.03
Loop 15415 - update.cpp:498-501 - libgromacs_mpi.so.9.0.00.050.02
Loop 15412 - update.cpp:383-405 - libgromacs_mpi.so.9.0.00.010.01
.omp_outlined..4+libgromacs_mpi.so.9.0.00.060.03
Loop 14999 - md_support.cpp:148-219 - libgromacs_mpi.so.9.0.0+0.060.03
Loop 15002 - md_support.cpp:181-209 - libgromacs_mpi.so.9.0.00.060.03
gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*,...+libgromacs_mpi.so.9.0.00.060.03
Loop 3499 - partition.cpp:2522-2524 - libgromacs_mpi.so.9.0.00.010.01
Loop 3546 - hashedmap.h:229-255 - libgromacs_mpi.so.9.0.0+0.010.01
Loop 3547 - hashedmap.h:232-255 - libgromacs_mpi.so.9.0.00.010.01
MPID_Progress_idle_timer_ticklibmpi.so.12.0.00.050.02
.omp_outlined..17+libgromacs_mpi.so.9.0.00.050.02
Loop 4163 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.9.0.0+0.050.02
Loop 4169 - vec.h:141-147 - libgromacs_mpi.so.9.0.00.050.02
atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef, gmx::ArrayRef const>, int, InteractionList*, std::vector >*)libgromacs_mpi.so.9.0.00.050.02
nbnxn_atomdata_set(nbnxn_atomdata_t*, Nbnxm::GridSet const&, gmx::ArrayRef, gmx::ArrayRef, gmx::ArrayRef)libgromacs_mpi.so.9.0.00.050.02
unknown_functionlibgromacs_mpi.so.9.0.00.050.02
gmx::ThreadForceBuffer::clearForcesAndEnergies()+libgromacs_mpi.so.9.0.00.040.01
Loop 4234 - threaded_force_buffer.cpp:78-78 - libgromacs_mpi.so.9.0.00.040.01
int make_bondeds_zone(gmx_reverse_top_t const&, gmx::ArrayRef, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector > const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<...+libgromacs_mpi.so.9.0.00.040.01
Loop 3317 - localtopology.cpp:104-701 - libgromacs_mpi.so.9.0.0+0.010.01
Loop 3318 - stl_algo.h:568-573 - libgromacs_mpi.so.9.0.00.010.01
Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef const>, float, float, int, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.040.01
Loop 1796 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.00.010.01
Loop 1797 - grid.cpp:416-421 - libgromacs_mpi.so.9.0.00.010.01
__kmp_fork_calllibomp.so0.040.01
std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, g...+libgromacs_mpi.so.9.0.00.030.01
Loop 16908 - bonded.cpp:1913-2011 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 16909 - bonded.cpp:1913-2008 - libgromacs_mpi.so.9.0.00.030.01
make_dd_indices(gmx_domdec_t*, int)+libgromacs_mpi.so.9.0.00.030.01
Loop 3568 - partition.cpp:515-540 - libgromacs_mpi.so.9.0.0+0.010.01
Loop 3569 - partition.cpp:529-540 - libgromacs_mpi.so.9.0.0+0.010.01
Loop 3570 - hashedmap.h:167-167 - libgromacs_mpi.so.9.0.00.010.01
setup_specat_communication(gmx_domdec_t*, std::vector >*, gmx_domdec_specat_comm_t*, gmx::HashedMap*, int, int, char const*, char const*)+libgromacs_mpi.so.9.0.00.030.01
Loop 3247 - domdec_specatomcomm.cpp:438-566 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 3251 - vector.tcc:464-680 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 3254 - hashedmap.h:274-282 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 3256 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.010.01
Loop 3255 - hashedmap.h:277-282 - libgromacs_mpi.so.9.0.00.010.01
walk_out(int, int, int, int, int, gmx::ArrayRef, gmx::ArrayRef, gmx::ListOfLists const&, gmx_ga2la_t const&, bool, gmx_domdec_constraints_t*, gmx_domdec_specat_comm_t*, InteractionList*, std::vector >*)libgromacs_mpi.so.9.0.00.030.01
Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef, gmx::ArrayRef const>, Nbnxm::BoundingBox*)+libgromacs_mpi.so.9.0.00.030.01
Loop 1792 - grid.cpp:818-870 - libgromacs_mpi.so.9.0.0+0.030.01
Loop 1793 - grid.cpp:825-836 - libgromacs_mpi.so.9.0.00.030.01
MPIDIG_progress_compl_listlibmpi.so.12.0.00.030.01
__kmp_serialized_parallellibomp.so0.030.01
.omp_outlined.#0x6c2070libgromacs_mpi.so.9.0.00.030.01
__kmp_join_calllibomp.so0.030.01
gmx::LegacySimulator::do_md()libgromacs_mpi.so.9.0.00.010.01
gmx_pme_send_coordinates(t_forcerec*, t_commrec const*, float const (*) [3], gmx::ArrayRef const>, float, float, bool, long, bool, bool, bool, bool, GpuEventSynchronizer*, bool, gmx_wallcycle*)libgromacs_mpi.so.9.0.00.010.01
gmx::StopConditionSignal::getSignal(_IO_FILE*)libgromacs_mpi.so.9.0.00.010.01
.omp_outlined..73+libgromacs_mpi.so.9.0.00.010.01
Loop 15303 - sim_util.cpp:151-151 - libgromacs_mpi.so.9.0.00.010.01
pme_receive_force_ener(t_forcerec*, t_commrec const*, gmx::ForceWithVirial*, gmx_enerdata_t*, bool, bool, gmx_wallcycle*)libgromacs_mpi.so.9.0.00.010.01
do_force(_IO_FILE*, t_commrec const*, gmx_multisim_t const*, t_inputrec const&, gmx::MDModulesNotifiers const&, gmx::Awh*, gmx_enfrot*, gmx::ImdSession*, pull_t*, long, t_nrnb*, gmx_wallcycle*, gmx_localtop_t const*, float const (*) [3], gmx::ArrayRefWithP...libgromacs_mpi.so.9.0.00.010.01
.omp_outlined..29libgromacs_mpi.so.9.0.00.010.01
gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef, gmx::ArrayRef, gmx::FlexibleConstraintTreatment)libgromacs_mpi.so.9.0.00.010.01
calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])+libgromacs_mpi.so.9.0.00.010.01
Loop 14261 - calcvir.cpp:61-67 - libgromacs_mpi.so.9.0.00.010.01
getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)libgromacs_mpi.so.9.0.00.010.01
MPIR_Sendrecv_replace_impllibmpi.so.12.0.00.010.01
MPIDU_Init_shm_initlibmpi.so.12.0.00.010.01
MPIDU_Init_shm_barrierlibmpi.so.12.0.00.010.01
gmx::ForceProviders::calculateForces(gmx::ForceProviderInput const&, gmx::ForceProviderOutput*) constlibgromacs_mpi.so.9.0.00.010.01
inflate_fastlibmpi.so.12.0.00.010.01
globalAtomIndexToMoltypeIndices(gmx::ArrayRef, int)libgromacs_mpi.so.9.0.00.010.01
nral_rt(int)libgromacs_mpi.so.9.0.00.010.01
Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef, gmx::Range, gmx::ArrayRef, gmx::ArrayRef const>, int, nbnxn_atomdata_t*)libgromacs_mpi.so.9.0.00.010.01
Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range, gmx::ArrayRef const>, int, int const*, int, int, gmx::ArrayRef, gmx::ArrayRef)libgromacs_mpi.so.9.0.00.010.01
Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef, gmx::ArrayRef const>, nbnxn_atomdata_t*, gmx::Range, gmx::ArrayRef)+libgromacs_mpi.so.9.0.00.010.01
Loop 1794 - grid.cpp:1048-1095 - libgromacs_mpi.so.9.0.0+0.010.01
Loop 1795 - grid.cpp:1070-1089 - libgromacs_mpi.so.9.0.00.010.01
nbnxn_atomdata_add_nbat_fshift_to_fshift(nbnxn_atomdata_t const&, gmx::ArrayRef >)libgromacs_mpi.so.9.0.00.010.01
.omp_outlined.#0xbe5d40+libgromacs_mpi.so.9.0.00.010.01
Loop 1417 - listed_forces.cpp:388-451 - libgromacs_mpi.so.9.0.0+0.010.01
Loop 1418 - utilities.h:56-57 - libgromacs_mpi.so.9.0.00.010.01
MPIDIG_send_target_msg_cblibmpi.so.12.0.00.010.01
.omp_outlined.#0xb00250libgromacs_mpi.so.9.0.00.010.01
MPIDIG_send_origin_cblibmpi.so.12.0.00.010.01
.omp_outlined.#0x6c63e0libgromacs_mpi.so.9.0.00.010.01
.omp_outlined.#0x5f8c30libgromacs_mpi.so.9.0.00.010.01
nbnxn_atomdata_copy_shiftvec(bool, gmx::ArrayRef >, nbnxn_atomdata_t*)libgromacs_mpi.so.9.0.00.010.01
MPIDI_GPU_request_freelibmpi.so.12.0.00.010.01
MPI_Recvlibmpi.so.12.0.00.010.01
__kmpc_for_static_finilibomp.so0.010.01
__kmpc_end_serialized_parallellibomp.so0.010.01
__kmpc_fork_calllibomp.so0.010.01
__atan2f_finitelibm.so.60.010.01
gmx::InMemoryDeserializer::doInt(int*)libgromacs_mpi.so.9.0.00.010.01
___kmp_allocatelibomp.so0.010.01
__tls_get_addrld-linux-x86-64.so.20.010.01
acosflibm.so.60.010.01
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