f64xsubf128 - Load Distribution

f64xsubf128 - Sorted Load Distribution

f64xsubf128 - Load Distribution All Threads

f64xsubf128

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 (%)
100.660.160.40.410.230.750.121.480.072.040.042.690.026.580.018.25

Speed-Up and Efficiency

Coverage (%)NameSource LocationModule
49.35+calculateSimpleBond(int, int, [...]bonded.cpp:4143libgromacs_mpi.so.9.0.0
(anonymous namespace)::calc_on[...]listed_forces.cpp:356libgromacs_mpi.so.9.0.0
.omp_outlined.#0xbe5d40listed_forces.cpp:428libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
ListedForces::calculate(gmx_wa[...]listed_forces.cpp:387libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2047libgromacs_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
13.17+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
8.91+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
5.57+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
5.19+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: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
3.34+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
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
2.23+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: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
1.86+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
1.48+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
1.48+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
Coverage (%)NameSource LocationModule
30.37+calculateSimpleBond(int, int, [...]bonded.cpp:4143libgromacs_mpi.so.9.0.0
(anonymous namespace)::calc_on[...]listed_forces.cpp:356libgromacs_mpi.so.9.0.0
.omp_outlined.#0xbe5d40listed_forces.cpp:428libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
ListedForces::calculate(gmx_wa[...]listed_forces.cpp:387libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2047libgromacs_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
17.80+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
16.83+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
7.56+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
7.07+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
3.54+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
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
2.80+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
2.44+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
2.07+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
1.22+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
1.10+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
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
Coverage (%)NameSource LocationModule
21.10+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: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
19.76+calculateSimpleBond(int, int, [...]bonded.cpp:4143libgromacs_mpi.so.9.0.0
(anonymous namespace)::calc_on[...]listed_forces.cpp:356libgromacs_mpi.so.9.0.0
.omp_outlined.#0xbe5d40listed_forces.cpp:428libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
ListedForces::calculate(gmx_wa[...]listed_forces.cpp:387libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2047libgromacs_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
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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
1.38+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.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
22.94+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
20.17+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
9.95+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
9.12+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
5.85+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
4.91+calculateSimpleBond(int, int, [...]bonded.cpp:4143libgromacs_mpi.so.9.0.0
(anonymous namespace)::calc_on[...]listed_forces.cpp:356libgromacs_mpi.so.9.0.0
.omp_outlined.#0xbe5d40listed_forces.cpp:428libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
ListedForces::calculate(gmx_wa[...]listed_forces.cpp:387libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2047libgromacs_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
4.80+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
2.30+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
2.27+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
2.14+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
1.94+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.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
1.44+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
28.16+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
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
25.37+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
7.57+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
6.93+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
4.21+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
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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
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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
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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
2.73+calculateSimpleBond(int, int, [...]bonded.cpp:4143libgromacs_mpi.so.9.0.0
(anonymous namespace)::calc_on[...]listed_forces.cpp:356libgromacs_mpi.so.9.0.0
.omp_outlined.#0xbe5d40listed_forces.cpp:428libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
ListedForces::calculate(gmx_wa[...]listed_forces.cpp:387libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2047libgromacs_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
2.49+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
1.91+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
1.55+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
1.10+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: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
1.08+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
28.85+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
25.20+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
7.78+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
7.00+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: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
4.38+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
3.77+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
3.12+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
2.49+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
2.01+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
1.97+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
1.74+calculateSimpleBond(int, int, [...]bonded.cpp:4143libgromacs_mpi.so.9.0.0
(anonymous namespace)::calc_on[...]listed_forces.cpp:356libgromacs_mpi.so.9.0.0
.omp_outlined.#0xbe5d40listed_forces.cpp:428libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
ListedForces::calculate(gmx_wa[...]listed_forces.cpp:387libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2047libgromacs_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
1.29+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
1.14+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
28.30+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
25.16+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
8.05+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
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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
7.48+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
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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
4.62+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
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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
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3.75+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
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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
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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
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1.98+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
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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
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1.25+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
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Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
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1.14+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
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Coverage (%)NameSource LocationModule
28.55+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
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increaseNstlist(_IO_FILE*, t_c[...]pairlist_tuning.cpp:311libgromacs_mpi.so.9.0.0
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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
25.21+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
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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
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maingmx.cpp:58gmx_mpi
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8.05+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
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Nbnxm::init_nb_verlet(gmx::MDL[...]nbnxm_setup.cpp:431libgromacs_mpi.so.9.0.0
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7.55+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
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gmx::Mdrunner::mdrunner()runner.cpp:1859libgromacs_mpi.so.9.0.0
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gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
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maingmx.cpp:58gmx_mpi
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4.41+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
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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
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3.86+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
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calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1455libgromacs_mpi.so.9.0.0
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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
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3.12+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
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gmx::Mdrunner::mdrunner()runner.cpp:607libgromacs_mpi.so.9.0.0
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2.22+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
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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
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2.03+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.cpp:827libgromacs_mpi.so.9.0.0
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1.24+energyDrift(gmx::ArrayRef<Verl[...]calc_verletbuf.h:269libgromacs_mpi.so.9.0.0
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maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
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