getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) - Load Distribution

getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) - Sorted Load Distribution

getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool) - Load Distribution All Threads

getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)

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 (%)
100.50100.1400.050.010.040.010.020.010.010.020.010.03

Speed-Up and Efficiency

Coverage (%)NameSource LocationModule
100.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
50.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
50.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
100.00+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2041libgromacs_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
28.57+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
14.29+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2041libgromacs_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
14.29+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
14.29+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
14.29+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
14.29+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_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
Coverage (%)NameSource LocationModule
60.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
25.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
10.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
5.00+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:805libgromacs_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
Coverage (%)NameSource LocationModule
36.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
16.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
16.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
12.00+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_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
8.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
8.00+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
4.00+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:1954libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:3003libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()unique_ptr.h:962libgromacs_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
33.33+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
24.44+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
11.11+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_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
6.67+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2041libgromacs_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
6.67+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:1954libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:3003libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()unique_ptr.h:962libgromacs_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
4.44+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
4.44+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
4.44+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:805libgromacs_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
2.22+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
2.22+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
37.50+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
28.13+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
8.33+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_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
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6.25+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
3.13+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
3.12+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:805libgromacs_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
2.08+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2041libgromacs_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
2.08+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:1954libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:3003libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()unique_ptr.h:962libgromacs_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
1.04+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
Coverage (%)NameSource LocationModule
37.67+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
27.40+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
8.90+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
5.48+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:1954libgromacs_mpi.so.9.0.0
gmx::DomainDecompositionBuilde[...]domdec.cpp:3003libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()unique_ptr.h:962libgromacs_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
4.79+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_mpi.so.9.0.0
printNbnxmPressureError(gmx::M[...]pairlist_tuning.cpp:805libgromacs_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
4.79+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
3.42+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
3.42+calcVerletBufferSize(gmx_mtop_[...]calc_verletbuf.cpp:1396libgromacs_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
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maingmx.cpp:58gmx_mpi
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2.74+verletBufferPressureError(gmx_[...]calc_verletbuf.cpp:1535libgromacs_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
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maingmx.cpp:58gmx_mpi
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1.37+minCellSizeForAtomDisplacement[...]calc_verletbuf.cpp:1798libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2041libgromacs_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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