(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 | 0.91 | 0.02 | 0.69 | 0.08 | 0.47 | 0.15 | 0.45 | 0.16 | 0.5 | 0.1 | 0.39 | 0.1 | 0.34 | 0.15 | 0.25 | 0.19 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 1.6799998283386 | 0.20153437554836 |
2x1 | 2 | 0.91 | 1.82 | 2 | 0.98999977111816 | 0.2040741443634 |
4x1 | 4 | 0.69 | 2.74 | 4 | 0.68500000238419 | 0.24600899219513 |
8x1 | 8 | 0.47 | 3.75 | 8 | 0.48999997973442 | 0.28933423757553 |
16x1 | 16 | 0.45 | 7.16 | 16 | 0.29499995708466 | 0.28389546275139 |
32x1 | 20 | 0.5 | 16.13 | 32 | 0.20000000298023 | 0.20271655917168 |
64x1 | 40 | 0.39 | 25.09 | 64 | 0.1499999910593 | 0.16844476759434 |
128x1 | 84 | 0.34 | 44.12 | 128 | 0.095000006258488 | 0.22405844926834 |
192x1 | 128 | 0.25 | 48.82 | 192 | 0.099999986588955 | 0.2554512321949 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►76.68 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 | |
►12.57 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
►10.75 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►79.41 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 | |
►12.97 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
►7.62 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►78.98 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 | |
►15.32 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
►5.71 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►97.66 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 | |
►2.34 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►82.10 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 | |
►8.53 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
►6.04 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
►3.33 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00 | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __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 |