energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) - Load Distribution

energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) - Sorted Load Distribution

energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) - Load Distribution All Threads

energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*)

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 (%)
100.520.120.260.340.130.670.061.370.041.90.022.480.015.980.017.68

Speed-Up and Efficiency

Coverage (%)NameSource LocationModule
22.18+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
20.08+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
10.46+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
9.21+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
7.95+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
5.86+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.35+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
2.09+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
2.09+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
2.09+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
2.09+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.67+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.26+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1537libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:795libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:436libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.26+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.26+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:284libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
1.26+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:284libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
22.15+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
21.49+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
8.33+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
7.46+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
6.36+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
5.26+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
4.39+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.51+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.51+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
3.29+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
1.75+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.54+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1537libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:795libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:436libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.32+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.32+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:573libgromacs_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
1.32+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.10+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:284libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
23.54+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
22.68+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
8.96+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
6.59+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
6.16+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
4.97+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.89+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.35+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.13+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
3.02+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
1.62+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:573libgromacs_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+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:284libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
1.19+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1537libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:795libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:436libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.19+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
23.36+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
21.73+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
8.57+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
7.52+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
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6.42+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
5.10+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
4.52+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.68+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
3.31+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.10+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
1.68+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.32+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
23.27+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
22.88+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
8.42+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
7.35+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
7.14+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
7.09+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
2.91+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
2.81+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
2.81+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
2.10+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.53+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.06+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
27.04+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
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calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.00+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
27.52+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
26.34+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
6.66+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
6.23+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
4.82+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
4.53+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.40+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
3.22+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
2.66+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
2.41+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.02+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:573libgromacs_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
1.02+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.02+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.01+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:284libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
27.49+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
26.18+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
6.61+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
6.34+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:737libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
5.10+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
4.57+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
3.38+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
3.14+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
2.54+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
2.45+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1439libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:555libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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
1.06+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:573libgromacs_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
1.03+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:284libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_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
1.02+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
pressureError(gmx::ArrayRef<Ve[...]calc_verletbuf.cpp:1258libgromacs_mpi.so.9.0.0
calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
setupDynamicPairlistPruning(gm[...]pairlist_tuning.cpp:757libgromacs_mpi.so.9.0.0
Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_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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