unknown_function - Load Distribution

unknown_function - Sorted Load Distribution

unknown_function - Load Distribution All Threads

unknown_function

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 (%)
10100.9100.580.020.370.030.250.050.170.050.080.130.060.16

Speed-Up and Efficiency

Coverage (%)NameSource LocationModule
20.75+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1396libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
11.32+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
7.55+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
7.55+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
7.55+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
5.66+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
5.66+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
5.66+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
3.77+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1663libgromacs_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
3.77+int assignInteractionsForAtom<[...]stl_vector.h:940libgromacs_mpi.so.9.0.0
int make_bondeds_zone<true>(gm[...]localtopology.cpp:666libgromacs_mpi.so.9.0.0
.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
3.77+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
atoms2md(gmx_mtop_t const&, t_[...]mdatoms.cpp:267libgromacs_mpi.so.9.0.0
gmx::mdAlgorithmsSetupAtomData[...]stl_vector.h:353libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3287libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
3.77+gmx_fft_many_1d_real(gmx_fft*,[...]fft.cpp:135libgromacs_mpi.so.9.0.0
fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.89+float (anonymous namespace)::i[...]bonded.cpp:2298libgromacs_mpi.so.9.0.0
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
1.89+.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.89+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
1.89+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
1.89+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
1.89+std::enable_if<(((BondedKernel[...]bonded.cpp:2010libgromacs_mpi.so.9.0.0
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
1.89+.omp_outlined.#0x6ad440localtopology.cpp:903libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
Coverage (%)NameSource LocationModule
26.42+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
11.32+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
9.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
9.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
7.55+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
5.66+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
3.77+.omp_outlined.#0x6ad440localtopology.cpp:903libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
3.77+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1396libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
3.77+std::enable_if<(((BondedKernel[...]bonded.cpp:2010libgromacs_mpi.so.9.0.0
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
3.77+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
1.89+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
1.89+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
1.89+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
1.89+gmx_fft_many_1d_real(gmx_fft*,[...]fft.cpp:135libgromacs_mpi.so.9.0.0
fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.89+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
atoms2md(gmx_mtop_t const&, t_[...]mdatoms.cpp:267libgromacs_mpi.so.9.0.0
gmx::mdAlgorithmsSetupAtomData[...]stl_vector.h:353libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3287libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.89+int make_bondeds_zone<false>(g[...]localtopology.cpp:666libgromacs_mpi.so.9.0.0
.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.89+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
1.89+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
Coverage (%)NameSource LocationModule
13.79+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
10.35+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
8.62+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
8.62+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
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
6.90+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1396libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
5.17+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
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
5.17+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
5.17+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
5.17+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
3.45+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
3.45+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
3.45+int make_bondeds_zone<false>(g[...]localtopology.cpp:666libgromacs_mpi.so.9.0.0
.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
3.45+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
1.72+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
1.72+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
1.72+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
1.72+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
1.72+Nbnxm::Grid::sortColumnsCpuGeo[...]grid.cpp:1078libgromacs_mpi.so.9.0.0
.omp_outlined.#0x5f4ef0grid.cpp:1494libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
Nbnxm::Grid::setCellIndices(in[...]grid.cpp:1485libgromacs_mpi.so.9.0.0
Nbnxm::GridSet::putOnGrid(floa[...]gridset.cpp:247libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::putAtomsOn[...]cyclecounter.h:182libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3120libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.72+gmx_fft_many_1d_real(gmx_fft*,[...]fft.cpp:135libgromacs_mpi.so.9.0.0
fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.72+gmx::DomainDecompositionBuilde[...]domdec.cpp:2007libgromacs_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
1.72+std::enable_if<(((BondedKernel[...]bonded.cpp:2010libgromacs_mpi.so.9.0.0
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
1.72+.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.72+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
Coverage (%)NameSource LocationModule
14.13+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
7.61+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
5.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
5.43+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1663libgromacs_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
5.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
4.35+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
3.26+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: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
3.26+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: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
3.26+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
3.26+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
3.26+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
2.17+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
2.17+.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
2.17+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
2.17+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
2.17+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1396libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
2.17+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1663libgromacs_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
2.17+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
1.09+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
1.09+.omp_outlined.#0x6ad440localtopology.cpp:903libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
1.09+.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
1.09+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
1.09+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
1.09+gmx::MdrunnerBuilder::build()runner.cpp:2894libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:278gmx_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
1.09+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
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
1.09+postProcessForceWithShiftForce[...]nrnb.h:188libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2483libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1248libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2311libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
gmx::gmx_mdrun(int, char**)mdrun.cpp:82gmx_mpi
gmx::CommandLineModuleManager:[...]cmdlinemodulemanager.cpp:569libgromacs_mpi.so.9.0.0
maingmx.cpp:58gmx_mpi
__libc_start_call_mainlibc.so.6
1.09+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
1.09+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
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
1.09+int make_bondeds_zone<false>(g[...]localtopology.cpp:666libgromacs_mpi.so.9.0.0
.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.09+std::enable_if<(((BondedKernel[...]bonded.cpp:2010libgromacs_mpi.so.9.0.0
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
1.09+float (anonymous namespace)::i[...]bonded.cpp:2327libgromacs_mpi.so.9.0.0
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
1.09+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
1.09+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
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
1.09+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: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
1.09+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
1.09+std::enable_if<(((BondedKernel[...]bonded.cpp:2968libgromacs_mpi.so.9.0.0
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
1.09+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
1.09+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.09+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
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
1.09+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.09+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
1.09+gmx::Constraints::Impl::apply([...]constr.cpp:493libgromacs_mpi.so.9.0.0
gmx::constrain_coordinates(gmx[...]constr.cpp:373libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1660libgromacs_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
Coverage (%)NameSource LocationModule
12.77+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
9.22+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
9.22+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
7.09+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
5.67+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: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
4.26+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
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
3.55+.omp_outlined.#0x6ad440iterator_interface.hpp:305libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
dd_make_local_top(gmx_domdec_t[...]localtopology.cpp:846libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3199libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
3.55+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
3.55+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1663libgromacs_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
3.55+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
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
2.84+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1396libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
2.84+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
2.84+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
2.13+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
2.13+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
2.13+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
1.42+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
atoms2md(gmx_mtop_t const&, t_[...]mdatoms.cpp:267libgromacs_mpi.so.9.0.0
gmx::mdAlgorithmsSetupAtomData[...]stl_vector.h:353libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3287libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.42+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.42+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
1.42+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
1.42+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
CpuPpLongRangeNonbondeds::calc[...]force.cpp:261libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:2073libgromacs_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
1.42+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
Coverage (%)NameSource LocationModule
26.67+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
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
16.19+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
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
4.29+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
3.81+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
3.33+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
3.33+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
2.38+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
2.38+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
2.38+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: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
1.90+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
1.90+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
1.43+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
1.43+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
atoms2md(gmx_mtop_t const&, t_[...]mdatoms.cpp:267libgromacs_mpi.so.9.0.0
gmx::mdAlgorithmsSetupAtomData[...]stl_vector.h:353libgromacs_mpi.so.9.0.0
gmx::dd_partition_system(_IO_F[...]partition.cpp:3287libgromacs_mpi.so.9.0.0
gmx::LegacySimulator::do_md()md.cpp:1001libgromacs_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
1.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1178libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
1.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
1.43+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
1.43+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
1.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
1.43+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1396libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
1.43+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
1.43+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
Coverage (%)NameSource LocationModule
28.15+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
16.23+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
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
6.29+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1763libgromacs_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
4.97+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
4.30+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
3.97+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
3.64+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
2.65+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
2.32+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: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
1.99+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
1.66+__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
nbnxn_atomdata_copy_x_to_nbat_[...]atomdata.cpp:990libgromacs_mpi.so.9.0.0
nonbonded_verlet_t::convertCoo[...]nbnxm.cpp:155libgromacs_mpi.so.9.0.0
do_force(_IO_FILE*, t_commrec [...]sim_util.cpp:1663libgromacs_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
1.66+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1389libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_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
1.66+std::enable_if<(((BondedKernel[...]bonded.cpp:1987libgromacs_mpi.so.9.0.0
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
1.32+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
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+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_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+(anonymous namespace)::calc_on[...]listed_forces.cpp:334libgromacs_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
Coverage (%)NameSource LocationModule
29.12+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
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
17.92+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
7.04+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
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
5.28+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
4.96+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: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
2.88+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
2.56+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
2.56+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
1.44+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
1.28+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
1.28+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
1.12+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_mpi.so.9.0.0
gmx::gmx_mdrun(int, gmx_hw_inf[...]mdrun.cpp:280gmx_mpi
Coverage (%)NameSource LocationModule
30.82+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
18.82+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
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
7.41+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
5.76+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
5.18+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
3.41+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
2.82+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
2.59+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: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
2.47+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
2.35+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
1.88+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
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
1.29+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
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
1.18+fft5d_execute(fft5d_plan_t*, i[...]fft5d.cpp:1186libgromacs_mpi.so.9.0.0
gmx_parallel_3dfft_execute(gmx[...]parallel_3dfft.cpp:186libgromacs_mpi.so.9.0.0
.omp_outlined..49pme.cpp:1283libgromacs_mpi.so.9.0.0
__kmp_invoke_microtasklibomp.so
__kmp_fork_calllibomp.so
__kmpc_fork_calllibomp.so
gmx_pme_do(gmx_pme_t*, gmx::Ar[...]pme.cpp:1276libgromacs_mpi.so.9.0.0
gmx_pmeonly(gmx_pme_t**, t_com[...]stl_vector.h:1169libgromacs_mpi.so.9.0.0
gmx::Mdrunner::mdrunner()runner.cpp:2330libgromacs_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
×