(1x1) Efficiency | (1x1) Potential Speed-Up (%) | (2x1) Efficiency | (2x1) Potential Speed-Up (%) | (4x1) Efficiency | (4x1) Potential Speed-Up (%) | (8x1) Efficiency | (8x1) Potential Speed-Up (%) | (16x1) Efficiency | (16x1) Potential Speed-Up (%) | (32x1) Efficiency | (32x1) Potential Speed-Up (%) | (64x1) Efficiency | (64x1) Potential Speed-Up (%) | (128x1) Efficiency | (128x1) Potential Speed-Up (%) | (192x1) Efficiency | (192x1) Potential Speed-Up (%) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 0 | 1 | 0 | 0.91 | 0 | 0.58 | 0.02 | 0.37 | 0.03 | 0.25 | 0.05 | 0.17 | 0.05 | 0.08 | 0.13 | 0.06 | 0.16 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.26499995589256 | 0.031789645552635 |
2x1 | 2 | 1 | 2 | 2 | 0.15500000119209 | 0.029232004657388 |
4x1 | 4 | 0.91 | 3.65 | 4 | 0.090000003576279 | 0.02911975607276 |
8x1 | 8 | 0.58 | 4.61 | 8 | 0.084999993443489 | 0.037176813930273 |
16x1 | 16 | 0.37 | 5.99 | 16 | 0.064999997615814 | 0.05351497605443 |
32x1 | 32 | 0.25 | 8.07 | 32 | 0.054999995976686 | 0.063919685781002 |
64x1 | 63 | 0.17 | 11.19 | 64 | 0.054999988526106 | 0.05956768989563 |
128x1 | 126 | 0.08 | 10.7 | 128 | 0.059999998658895 | 0.14571960270405 |
192x1 | 186 | 0.06 | 11.85 | 192 | 0.074999988079071 | 0.16600401699543 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►20.75 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►11.32 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | int assignInteractionsForAtom<[...] | stl_vector.h:940 | libgromacs_mpi.so.9.0.0 |
○ | int make_bondeds_zone<true>(gm[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | gmx_fft_many_1d_real(gmx_fft*,[...] | fft.cpp:135 | libgromacs_mpi.so.9.0.0 |
○ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | float (anonymous namespace)::i[...] | bonded.cpp:2298 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | .omp_outlined.#0x6ad440 | localtopology.cpp:903 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►26.42 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►11.32 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | .omp_outlined.#0x6ad440 | localtopology.cpp:903 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | gmx_fft_many_1d_real(gmx_fft*,[...] | fft.cpp:135 | libgromacs_mpi.so.9.0.0 |
○ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | int make_bondeds_zone<false>(g[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►13.79 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►10.35 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►8.62 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►8.62 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►6.90 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45 | int make_bondeds_zone<false>(g[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | Nbnxm::Grid::sortColumnsCpuGeo[...] | grid.cpp:1078 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x5f4ef0 | grid.cpp:1494 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | Nbnxm::Grid::setCellIndices(in[...] | grid.cpp:1485 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::GridSet::putOnGrid(floa[...] | gridset.cpp:247 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::putAtomsOn[...] | cyclecounter.h:182 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3120 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | gmx_fft_many_1d_real(gmx_fft*,[...] | fft.cpp:135 | libgromacs_mpi.so.9.0.0 |
○ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | gmx::DomainDecompositionBuilde[...] | domdec.cpp:2007 | libgromacs_mpi.so.9.0.0 |
○ | gmx::DomainDecompositionBuilde[...] | domdec.cpp:3003 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | unique_ptr.h:962 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►14.13 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.61 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.43 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.35 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►2.17 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►2.17 | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►2.17 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09 | .omp_outlined.#0x6ad440 | localtopology.cpp:903 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09 | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | gmx::MdrunnerBuilder::build() | runner.cpp:2894 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:278 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | postProcessForceWithShiftForce[...] | nrnb.h:188 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2483 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | int make_bondeds_zone<false>(g[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | float (anonymous namespace)::i[...] | bonded.cpp:2327 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | std::enable_if<(((BondedKernel[...] | bonded.cpp:2968 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09 | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09 | gmx::Constraints::Impl::apply([...] | constr.cpp:493 | libgromacs_mpi.so.9.0.0 |
○ | gmx::constrain_coordinates(gmx[...] | constr.cpp:373 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1660 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►12.77 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.22 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.22 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.09 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.67 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.26 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55 | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.84 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.84 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.84 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.13 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.13 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.13 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.42 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.42 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►26.67 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►16.19 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.29 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.81 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.33 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►3.33 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.38 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.38 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.38 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.90 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.90 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43 | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
►1.43 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.43 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.43 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►28.15 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►16.23 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►6.29 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.97 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.30 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.97 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.64 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.65 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.32 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.99 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.66 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.66 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.66 | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.32 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.32 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.32 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.32 | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►29.12 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►17.92 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.04 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.28 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.96 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.68 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.88 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.56 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.56 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.44 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.28 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.28 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.12 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►30.82 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►18.82 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.41 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.76 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.18 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.41 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.82 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.59 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.47 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.35 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.88 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.29 | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.18 | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |