(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 | 0.51 | 0.1 | 0.39 | 0.1 | 0.35 | 0.15 | 0.26 | 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 | 2.75 | 4 | 0.68500000238419 | 0.24550700187683 |
8x1 | 8 | 0.47 | 3.77 | 8 | 0.48999997973442 | 0.28812196850777 |
16x1 | 16 | 0.45 | 7.17 | 16 | 0.29499995708466 | 0.28313633799553 |
32x1 | 20 | 0.51 | 16.2 | 32 | 0.20000000298023 | 0.20180343091488 |
64x1 | 40 | 0.39 | 25.18 | 64 | 0.1499999910593 | 0.16785305738449 |
128x1 | 84 | 0.35 | 44.3 | 128 | 0.094999998807907 | 0.22312584519386 |
192x1 | 128 | 0.26 | 49.05 | 192 | 0.099999986588955 | 0.25427943468094 |
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 |
---|---|---|---|
►76.86 | __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 | |
►12.48 | __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 |
►10.66 | __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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►79.36 | __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 | |
►13.00 | __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 |
►7.64 | __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 |
---|---|---|---|
►79.03 | __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 | |
►15.23 | __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 |
►5.73 | __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 |
---|---|---|---|
►97.65 | __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 | |
►2.35 | __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 |
---|---|---|---|
►82.13 | __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 | |
►8.57 | __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 |
►5.96 | __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 |
►3.34 | __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 |
○ | gmx::gmx_mdrun(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 |