(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 | 0.25 | 0 | 0.14 | 0.01 | 0.05 | 0.01 | 0.05 | 0.02 | 0.05 | 0.01 | 0.03 | 0.01 | 0.02 | 0.02 | 0.01 | 0.03 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.00999999884516 | 0.0011996093671769 |
2x1 | 2 | 0.25 | 0.5 | 2 | 0.029999997466803 | 0.0044123288244009 |
4x1 | 4 | 0.14 | 0.57 | 4 | 0.02000000141561 | 0.0070287818089128 |
8x1 | 8 | 0.05 | 0.43 | 8 | 0.03999999538064 | 0.014951637014747 |
16x1 | 15 | 0.05 | 0.74 | 16 | 0.029999995604157 | 0.016320180147886 |
32x1 | 21 | 0.05 | 1.56 | 32 | 0.024999998509884 | 0.012479516677558 |
64x1 | 38 | 0.03 | 1.99 | 64 | 0.015000000596046 | 0.012623574584723 |
128x1 | 66 | 0.02 | 2.77 | 128 | 0.01999999769032 | 0.021217066794634 |
192x1 | 100 | 0.01 | 2.59 | 192 | 0.019999999552965 | 0.028708633035421 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
---|---|---|---|
►12.50 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►12.50 | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►12.50 | __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 | |
►12.50 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::finish_upda[...] | wallcycle.h:441 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::finish_update(t_i[...] | update.cpp:263 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1683 | 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 | |
►12.50 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►12.50 | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1381 | 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 | |
►12.50 | 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 | |
►12.50 | __kmpc_fork_call | libomp.so | |
○ | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 |
---|---|---|---|
►21.43 | __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 | |
►14.29 | __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 | |
►14.29 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►7.14 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►7.14 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►7.14 | __kmpc_fork_call | libomp.so | |
○ | postProcessForces(t_commrec co[...] | vec.h:538 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2517 | 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 | |
►7.14 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►7.14 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchPr[...] | prunekerneldispatch.cpp:97 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:440 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►7.14 | __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 | |
►7.14 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►18.92 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 | |
►16.22 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►10.81 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►8.11 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 |
►5.41 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 | |
►5.41 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.41 | __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 | |
►2.70 | __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 |
►2.70 | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1381 | 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 |
►2.70 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►2.70 | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►2.70 | __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 | |
►2.70 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►2.70 | __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 | |
►2.70 | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►2.70 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►2.70 | __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 |
►2.70 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►6.98 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►6.98 | __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 | |
►6.98 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►6.98 | __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 | |
►6.98 | __kmpc_fork_call | libomp.so | |
○ | reduceForces(nbnxn_atomdata_t*[...] | atomdata.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::atomdata_a[...] | nbnxm.cpp:193 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | wallcycle.h:416 | 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 | |
►4.65 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.65 | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.65 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►4.65 | __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 |
►4.65 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►4.65 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::finish_upda[...] | wallcycle.h:441 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::finish_update(t_i[...] | update.cpp:263 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1683 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 | |
►2.33 | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1381 | 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 | |
►2.33 | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | PairlistSet::constructPairlist[...] | pairlist.cpp:4066 | libgromacs_mpi.so.9.0.0 |
○ | PairlistSets::construct(gmx::I[...] | pairlist.cpp:4322 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::constructP[...] | unique_ptr.h:173 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | unique_ptr.h:173 | 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 | |
►2.33 | 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 | |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
►2.33 | __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 |
►2.33 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►9.76 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►9.76 | __kmpc_fork_call | libomp.so | |
○ | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►4.88 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 |
►4.88 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 |
►4.88 | __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 | |
►4.88 | __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 | |
►4.88 | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►4.88 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 |
►4.88 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | reduceForces(nbnxn_atomdata_t*[...] | atomdata.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::atomdata_a[...] | nbnxm.cpp:193 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | wallcycle.h:416 | 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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | calc_vcm_grp(t_mdatoms const&,[...] | vcm.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:477 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1381 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:543 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.44 | __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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►2.44 | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | reduceForces(nbnxn_atomdata_t*[...] | atomdata.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::atomdata_a[...] | nbnxm.cpp:193 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | wallcycle.h:416 | 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 |
►2.44 | __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 | |
►2.44 | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►2.44 | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
---|---|---|---|
►14.06 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►7.81 | __kmpc_fork_call | libomp.so | |
○ | reduceForces(nbnxn_atomdata_t*[...] | atomdata.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::atomdata_a[...] | nbnxm.cpp:193 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | wallcycle.h:416 | 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 | |
►6.25 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::finish_upda[...] | wallcycle.h:441 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::finish_update(t_i[...] | update.cpp:263 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1683 | 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 | |
►6.25 | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.69 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 |
►4.69 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►3.13 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.13 | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►3.13 | __kmpc_fork_call | libomp.so | |
○ | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►3.13 | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 | |
►3.13 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►3.12 | __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 | |
►3.12 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►3.12 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchPr[...] | prunekerneldispatch.cpp:97 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:440 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►3.12 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 | |
►3.12 | __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 | |
►3.12 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►3.12 | __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 | |
►1.56 | __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 |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►1.56 | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:512 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | postProcessForces(t_commrec co[...] | vec.h:538 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2517 | 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 | |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1381 | 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 |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►1.56 | __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 | |
►1.56 | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 | |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | process_and_stopcm_grp(_IO_FIL[...] | vcm.cpp:372 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1806 | 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 | |
►1.56 | __kmpc_fork_call | libomp.so | |
○ | PairlistSet::constructPairlist[...] | pairlist.cpp:4066 | libgromacs_mpi.so.9.0.0 |
○ | PairlistSets::construct(gmx::I[...] | pairlist.cpp:4322 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::constructP[...] | unique_ptr.h:173 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | unique_ptr.h:173 | 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 |
---|---|---|---|
►6.59 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►5.49 | __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 |
►5.49 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►4.40 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::finish_upda[...] | wallcycle.h:441 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::finish_update(t_i[...] | update.cpp:263 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1683 | 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 | |
►4.40 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 | |
►4.40 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.40 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►4.40 | __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 | |
►4.40 | __kmpc_fork_call | libomp.so | |
○ | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►3.30 | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.30 | __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 |
►3.30 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:543 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►3.30 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 |
►3.30 | __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 | |
►3.30 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:543 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►3.30 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 |
►2.20 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
►2.20 | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►2.20 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
►2.20 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:543 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►2.20 | __kmpc_fork_call | libomp.so | |
○ | calc_vcm_grp(t_mdatoms const&,[...] | vcm.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:477 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:910 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | reduceForces(nbnxn_atomdata_t*[...] | atomdata.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::atomdata_a[...] | nbnxm.cpp:193 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | wallcycle.h:416 | 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 | |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | PairlistSet::constructPairlist[...] | pairlist.cpp:4066 | libgromacs_mpi.so.9.0.0 |
○ | PairlistSets::construct(gmx::I[...] | pairlist.cpp:4322 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::constructP[...] | unique_ptr.h:173 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | unique_ptr.h:173 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:2007 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
►1.10 | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 |
►1.10 | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchPr[...] | prunekerneldispatch.cpp:97 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:440 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 |
►1.10 | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:543 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 |
►1.10 | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
►1.10 | __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 | |
►1.10 | __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 | |
►1.10 | __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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | Nbnxm::generateAndFill2DGrid(N[...] | grid.cpp:1572 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::GridSet::putOnGrid(floa[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | nbnxn_put_on_grid_nonlocal(non[...] | cyclecounter.h:182 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1345 | 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 | |
►1.10 | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 |
►1.10 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►10.88 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1936 | 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 | |
►10.20 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::update_coor[...] | update.cpp:1888 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::update_coords(t_i[...] | update.cpp:239 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1642 | 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 | |
►10.20 | __kmpc_fork_call | libomp.so | |
○ | nonbonded_verlet_t::dispatchNo[...] | kerneldispatch.cpp:272 | libgromacs_mpi.so.9.0.0 |
○ | do_nb_verlet(t_forcerec*, inte[...] | sim_util.cpp:455 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1974 | 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 | |
►7.48 | __kmpc_fork_call | libomp.so | |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:590 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.48 | __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 | |
►6.80 | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►6.12 | __kmpc_fork_call | libomp.so | |
○ | do_redist_pos_coeffs(gmx_pme_t[...] | pme_redistribute.cpp:128 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1230 | 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 | |
►6.12 | __kmpc_fork_call | libomp.so | |
○ | gmx::Update::Impl::finish_upda[...] | wallcycle.h:441 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Update::finish_update(t_i[...] | update.cpp:263 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1683 | 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 | |
►4.08 | __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 | |
►4.08 | __kmpc_fork_call | libomp.so | |
○ | reduceForces(nbnxn_atomdata_t*[...] | atomdata.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::atomdata_a[...] | nbnxm.cpp:193 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | wallcycle.h:416 | 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 | |
►4.08 | __kmpc_fork_call | libomp.so | |
○ | unwrap_periodic_pmegrid(gmx_pm[...] | pme_grid.cpp:543 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1370 | 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 | |
►4.08 | __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 | |
►3.40 | __kmpc_fork_call | libomp.so | |
○ | gmx::ThreadedForceBuffer<float[...] | threaded_force_buffer.cpp:170 | libgromacs_mpi.so.9.0.0 |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:529 | 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 | |
►3.40 | __kmpc_fork_call | libomp.so | |
○ | spread_on_grid(gmx_pme_t const[...] | pme_spread.cpp:936 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1244 | 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 | |
►2.72 | __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 | |
►2.04 | __kmpc_fork_call | libomp.so | |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:2007 | 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 | |
►1.36 | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1381 | 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 | |
►1.36 | __kmpc_fork_call | libomp.so | |
○ | gmx::set_lincs_matrix(gmx::Lin[...] | lincs.cpp:1397 | libgromacs_mpi.so.9.0.0 |
○ | gmx::set_lincs(InteractionDefi[...] | stl_vector.h:335 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::setCon[...] | constr.cpp:1010 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::setConstrain[...] | constr.cpp:1050 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | mdsetup.cpp:161 | 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 |