calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) - Load Distribution

calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) - Sorted Load Distribution

calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) - Load Distribution All Threads

calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3])

Columns Filter

(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 (%)
(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 (%)
100.780.011.09-00.9300.730.011.08-00.9101.03-00.960

Speed-Up and Efficiency

Coverage (%)NameSource LocationModule
100.00+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
Coverage (%)NameSource LocationModule
98.89+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
1.11+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
Coverage (%)NameSource LocationModule
100.00+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
Coverage (%)NameSource LocationModule
77.33+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
12.00+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
9.33+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
1.33+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
Coverage (%)NameSource LocationModule
88.42+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
6.32+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
4.21+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
1.05+postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
Coverage (%)NameSource LocationModule
78.46+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
18.46+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
1.54+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
1.54+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
Coverage (%)NameSource LocationModule
97.40+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
1.30+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
1.30+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
Coverage (%)NameSource LocationModule
71.64+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
10.45+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
10.45+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
5.97+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
1.49+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
Coverage (%)NameSource LocationModule
95.83+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
4.17+calc_vir(int, float const (*) [...]calcvir.cpp:52libgromacs_mpi.so.9.0.0
postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
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