Function: unknown_function | Module: libgromacs_mpi.so.9.0.0 | Source: Not Available | Coverage (incl. loops): 0.17% | (excl. loops): 0.00% |
---|
Function: unknown_function | Module: libgromacs_mpi.so.9.0.0 | Source: Not Available | Coverage (incl. loops): 0.17% | (excl. loops): 0.00% |
---|
*** This Panel is Intentionally Left Blank. *** It is due to a lack of debug symbols in the given object |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►20.75+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►11.32+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | int assignInteractionsForAtom<[...] | stl_vector.h:940 | libgromacs_mpi.so.9.0.0 |
○ | int make_bondeds_zone<true>(gm[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | gmx_fft_many_1d_real(gmx_fft*,[...] | fft.cpp:135 | libgromacs_mpi.so.9.0.0 |
○ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | float (anonymous namespace)::i[...] | bonded.cpp:2298 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | .omp_outlined.#0x6ad440 | localtopology.cpp:903 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►26.42+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►11.32+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.55+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.66+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | .omp_outlined.#0x6ad440 | localtopology.cpp:903 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.77+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | gmx_fft_many_1d_real(gmx_fft*,[...] | fft.cpp:135 | libgromacs_mpi.so.9.0.0 |
○ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | int make_bondeds_zone<false>(g[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.89+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►13.79+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►10.35+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►8.62+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►8.62+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►6.90+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.17+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45+ | int make_bondeds_zone<false>(g[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.45+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | Nbnxm::Grid::sortColumnsCpuGeo[...] | grid.cpp:1078 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x5f4ef0 | grid.cpp:1494 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | Nbnxm::Grid::setCellIndices(in[...] | grid.cpp:1485 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::GridSet::putOnGrid(floa[...] | gridset.cpp:247 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::putAtomsOn[...] | cyclecounter.h:182 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3120 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | gmx_fft_many_1d_real(gmx_fft*,[...] | fft.cpp:135 | libgromacs_mpi.so.9.0.0 |
○ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | gmx::DomainDecompositionBuilde[...] | domdec.cpp:2007 | libgromacs_mpi.so.9.0.0 |
○ | gmx::DomainDecompositionBuilde[...] | domdec.cpp:3003 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | unique_ptr.h:962 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.72+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►14.13+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.61+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.43+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.35+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.26+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►2.17+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►2.17+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.17+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►2.17+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09+ | .omp_outlined.#0x6ad440 | localtopology.cpp:903 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | gmx::MdrunnerBuilder::build() | runner.cpp:2894 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:278 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | postProcessForceWithShiftForce[...] | nrnb.h:188 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2483 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | int make_bondeds_zone<false>(g[...] | localtopology.cpp:666 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:2010 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | float (anonymous namespace)::i[...] | bonded.cpp:2327 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:2968 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.09+ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.09+ | gmx::Constraints::Impl::apply([...] | constr.cpp:493 | libgromacs_mpi.so.9.0.0 |
○ | gmx::constrain_coordinates(gmx[...] | constr.cpp:373 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1660 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►12.77+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.22+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.22+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.09+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.67+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.26+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.55+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.84+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.84+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.84+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.13+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.13+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.13+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.42+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.42+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | CpuPpLongRangeNonbondeds::calc[...] | force.cpp:261 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2073 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►1.42+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►26.67+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►16.19+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.29+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.81+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.33+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►3.33+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.38+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.38+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.38+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.90+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.90+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43+ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | atoms2md(gmx_mtop_t const&, t_[...] | mdatoms.cpp:267 | libgromacs_mpi.so.9.0.0 |
○ | gmx::mdAlgorithmsSetupAtomData[...] | stl_vector.h:353 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3287 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1178 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
►1.43+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.43+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1396 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.43+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.43+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►28.15+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►16.23+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►6.29+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1763 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.97+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.30+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.97+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.64+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.65+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.32+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.99+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.66+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | nbnxn_atomdata_copy_x_to_nbat_[...] | atomdata.cpp:990 | libgromacs_mpi.so.9.0.0 |
○ | nonbonded_verlet_t::convertCoo[...] | nbnxm.cpp:155 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:1663 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.66+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1389 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.66+ | std::enable_if<(((BondedKernel[...] | bonded.cpp:1987 | libgromacs_mpi.so.9.0.0 |
○ | calculateSimpleBond(int, int, [...] | bonded.cpp:4143 | libgromacs_mpi.so.9.0.0 |
○ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:356 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.32+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.32+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.32+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.32+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►29.12+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►17.92+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.04+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.28+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►4.96+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.68+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.88+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.56+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.56+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.44+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.28+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:573 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.28+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.12+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►30.82+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►18.82+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.41+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.76+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.18+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:737 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.41+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.82+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.59+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.47+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►2.35+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.h:269 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1439 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:555 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.88+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | setupDynamicPairlistPruning(gm[...] | pairlist_tuning.cpp:757 | libgromacs_mpi.so.9.0.0 |
○ | Nbnxm::init_nb_verlet(gmx::MDL[...] | nbnxm_setup.cpp:431 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:1859 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.29+ | energyDrift(gmx::ArrayRef<Verl[...] | calc_verletbuf.cpp:827 | libgromacs_mpi.so.9.0.0 |
○ | pressureError(gmx::ArrayRef<Ve[...] | calc_verletbuf.cpp:1258 | libgromacs_mpi.so.9.0.0 |
○ | calcVerletBufferSize(gmx_mtop_[...] | calc_verletbuf.cpp:1455 | libgromacs_mpi.so.9.0.0 |
○ | increaseNstlist(_IO_FILE*, t_c[...] | pairlist_tuning.cpp:284 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:607 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►1.18+ | fft5d_execute(fft5d_plan_t*, i[...] | fft5d.cpp:1186 | libgromacs_mpi.so.9.0.0 |
○ | gmx_parallel_3dfft_execute(gmx[...] | parallel_3dfft.cpp:186 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined..49 | pme.cpp:1283 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx_pme_do(gmx_pme_t*, gmx::Ar[...] | pme.cpp:1276 | libgromacs_mpi.so.9.0.0 |
○ | gmx_pmeonly(gmx_pme_t**, t_com[...] | stl_vector.h:1169 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2330 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Path / |
Source file and lines | |
Module | libgromacs_mpi.so.9.0.0 |
Run 1x1 | Number processes: 1Number processes per node: 1OMP_NUM_THREADS: 1 |
---|---|
Run 2x1 | Number processes: 2Number processes per node: 2OMP_NUM_THREADS: 1 |
Run 4x1 | Number processes: 4Number processes per node: 4OMP_NUM_THREADS: 1 |
Run 8x1 | Number processes: 8Number processes per node: 8OMP_NUM_THREADS: 1 |
Run 16x1 | Number processes: 16Number processes per node: 16OMP_NUM_THREADS: 1 |
Run 32x1 | Number processes: 32Number processes per node: 32OMP_NUM_THREADS: 1 |
Run 64x1 | Number processes: 64Number processes per node: 64OMP_NUM_THREADS: 1 |
Run 128x1 | Number processes: 128Number processes per node: 128OMP_NUM_THREADS: 1 |
Run 192x1 | Number processes: 192Number nodes: 1Number processes per node: 192Run Command: <executable> mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm aoccMPI Command: mpirun -genv I_MPI_FABRICS=shm -n <number_processes>Dataset: Run Directory: .OMP_NUM_THREADS: 1 |
(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 (%) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 0 | 1 | 0 | 0.91 | 0 | 0.58 | 0.02 | 0.37 | 0.03 | 0.25 | 0.05 | 0.17 | 0.05 | 0.08 | 0.13 | 0.06 | 0.16 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.26499995589256 | 0.031789645552635 |
2x1 | 2 | 1 | 2 | 2 | 0.15500000119209 | 0.029232004657388 |
4x1 | 4 | 0.91 | 3.65 | 4 | 0.090000003576279 | 0.02911975607276 |
8x1 | 8 | 0.58 | 4.61 | 8 | 0.084999993443489 | 0.037176813930273 |
16x1 | 16 | 0.37 | 5.99 | 16 | 0.064999997615814 | 0.05351497605443 |
32x1 | 32 | 0.25 | 8.07 | 32 | 0.054999995976686 | 0.063919685781002 |
64x1 | 63 | 0.17 | 11.19 | 64 | 0.054999988526106 | 0.05956768989563 |
128x1 | 126 | 0.08 | 10.7 | 128 | 0.059999998658895 | 0.14571960270405 |
192x1 | 186 | 0.06 | 11.85 | 192 | 0.074999988079071 | 0.16600401699543 |
Name | Coverage (%) | Time (s) |
---|---|---|
○unknown_function | 0.17 | 0.02 |