Loop Id: 4234 | Module: libgromacs_mpi.so.9.0.0 | Source: threaded_force_buffer.cpp:78-78 [...] | Coverage: 0.02% |
---|
Loop Id: 4234 | Module: libgromacs_mpi.so.9.0.0 | Source: threaded_force_buffer.cpp:78-78 [...] | Coverage: 0.02% |
---|
0x6fd630 MOVSXD (%RAX),%RSI [1] |
0x6fd633 SAL $0x9,%RSI |
0x6fd637 VMOVUPS %YMM0,0x1e0(%RDX,%RSI,1) [2] |
0x6fd640 VMOVUPS %YMM0,0x1c0(%RDX,%RSI,1) [2] |
0x6fd649 VMOVUPS %YMM0,0x1a0(%RDX,%RSI,1) [2] |
0x6fd652 VMOVUPS %YMM0,0x180(%RDX,%RSI,1) [2] |
0x6fd65b VMOVUPS %YMM0,0x160(%RDX,%RSI,1) [2] |
0x6fd664 VMOVUPS %YMM0,0x140(%RDX,%RSI,1) [2] |
0x6fd66d VMOVUPS %YMM0,0x120(%RDX,%RSI,1) [2] |
0x6fd676 VMOVUPS %YMM0,0x100(%RDX,%RSI,1) [2] |
0x6fd67f VMOVUPS %YMM0,0xe0(%RDX,%RSI,1) [2] |
0x6fd688 VMOVUPS %YMM0,0xc0(%RDX,%RSI,1) [2] |
0x6fd691 VMOVUPS %YMM0,0xa0(%RDX,%RSI,1) [2] |
0x6fd69a VMOVUPS %YMM0,0x80(%RDX,%RSI,1) [2] |
0x6fd6a3 VMOVUPS %YMM0,0x60(%RDX,%RSI,1) [2] |
0x6fd6a9 VMOVUPS %YMM0,0x40(%RDX,%RSI,1) [2] |
0x6fd6af VMOVUPS %YMM0,0x20(%RDX,%RSI,1) [2] |
0x6fd6b5 VMOVUPS %YMM0,(%RDX,%RSI,1) [2] |
0x6fd6ba ADD $0x4,%RAX |
0x6fd6be CMP %RCX,%RAX |
0x6fd6c1 JNE 6fd630 |
/home/eoseret/gromacs-2024.2/src/gromacs/mdtypes/threaded_force_buffer.cpp: 78 - 78 |
-------------------------------------------------------------------------------- |
78: for (int atomIndex : usedBlockIndices_) |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h: 924 - 924 |
-------------------------------------------------------------------------------- |
924: *__first = __tmp; |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_iterator.h: 1054 - 1182 |
-------------------------------------------------------------------------------- |
1054: ++_M_current; |
[...] |
1091: { return __normal_iterator(_M_current + __n); } |
[...] |
1182: { return __lhs.base() != __rhs.base(); } |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
---|---|---|---|
►100.00+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
---|---|---|---|
►100.00+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
---|---|---|---|
►76.03+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 | |
►12.12+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
►11.85+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►80.20+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 | |
►14.61+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
►5.19+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►84.87+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 | |
►12.50+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
►2.63+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►94.52+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 | |
►5.48+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►84.93+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 | |
►9.59+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
►4.11+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
►1.37+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:399 | 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 |
Path / |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.00 |
CQA speedup if FP arith vectorized | 1.00 |
CQA speedup if fully vectorized | 2.00 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.41 |
Bottlenecks | P12, P13, |
Function | gmx::ThreadForceBuffer |
Source | threaded_force_buffer.cpp:78-78,stl_algobase.h:924-924,stl_iterator.h:1054-1054,stl_iterator.h:1091-1091,stl_iterator.h:1182-1182 |
Source loop unroll info | not unrolled or unrolled with no peel/tail loop |
Source loop unroll confidence level | max |
Unroll/vectorization loop type | NA |
Unroll factor | NA |
CQA cycles | 8.00 |
CQA cycles if no scalar integer | 8.00 |
CQA cycles if FP arith vectorized | 8.00 |
CQA cycles if fully vectorized | 4.00 |
Front-end cycles | 3.33 |
P0 cycles | 1.00 |
P1 cycles | 1.00 |
P2 cycles | 0.75 |
P3 cycles | 0.75 |
P4 cycles | 0.50 |
P5 cycles | 5.67 |
P6 cycles | 5.67 |
P7 cycles | 5.67 |
P8 cycles | 0.00 |
P9 cycles | 0.00 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
P12 cycles | 8.00 |
P13 cycles | 8.00 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 1 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 21.00 |
Nb uops | 20.00 |
Nb loads | 1.00 |
Nb stores | 16.00 |
Nb stack references | 0.00 |
FLOP/cycle | 0.00 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 0.00 |
Nb FLOP fma | 0.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 64.50 |
Bytes prefetched | 0.00 |
Bytes loaded | 4.00 |
Bytes stored | 512.00 |
Stride 0 | 0.00 |
Stride 1 | 1.00 |
Stride n | 0.00 |
Stride unknown | 0.00 |
Stride indirect | 1.00 |
Vectorization ratio all | 100.00 |
Vectorization ratio load | NA |
Vectorization ratio store | 100.00 |
Vectorization ratio mul | NA |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | NA |
Vector-efficiency ratio all | 50.00 |
Vector-efficiency ratio load | NA |
Vector-efficiency ratio store | 50.00 |
Vector-efficiency ratio mul | NA |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | NA |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.00 |
CQA speedup if FP arith vectorized | 1.00 |
CQA speedup if fully vectorized | 2.00 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.41 |
Bottlenecks | P12, P13, |
Function | gmx::ThreadForceBuffer |
Source | threaded_force_buffer.cpp:78-78,stl_algobase.h:924-924,stl_iterator.h:1054-1054,stl_iterator.h:1091-1091,stl_iterator.h:1182-1182 |
Source loop unroll info | not unrolled or unrolled with no peel/tail loop |
Source loop unroll confidence level | max |
Unroll/vectorization loop type | NA |
Unroll factor | NA |
CQA cycles | 8.00 |
CQA cycles if no scalar integer | 8.00 |
CQA cycles if FP arith vectorized | 8.00 |
CQA cycles if fully vectorized | 4.00 |
Front-end cycles | 3.33 |
P0 cycles | 1.00 |
P1 cycles | 1.00 |
P2 cycles | 0.75 |
P3 cycles | 0.75 |
P4 cycles | 0.50 |
P5 cycles | 5.67 |
P6 cycles | 5.67 |
P7 cycles | 5.67 |
P8 cycles | 0.00 |
P9 cycles | 0.00 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
P12 cycles | 8.00 |
P13 cycles | 8.00 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 1 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 21.00 |
Nb uops | 20.00 |
Nb loads | 1.00 |
Nb stores | 16.00 |
Nb stack references | 0.00 |
FLOP/cycle | 0.00 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 0.00 |
Nb FLOP fma | 0.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 64.50 |
Bytes prefetched | 0.00 |
Bytes loaded | 4.00 |
Bytes stored | 512.00 |
Stride 0 | 0.00 |
Stride 1 | 1.00 |
Stride n | 0.00 |
Stride unknown | 0.00 |
Stride indirect | 1.00 |
Vectorization ratio all | 100.00 |
Vectorization ratio load | NA |
Vectorization ratio store | 100.00 |
Vectorization ratio mul | NA |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | NA |
Vector-efficiency ratio all | 50.00 |
Vector-efficiency ratio load | NA |
Vector-efficiency ratio store | 50.00 |
Vector-efficiency ratio mul | NA |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | NA |
Path / |
Function | gmx::ThreadForceBuffer |
Source file and lines | threaded_force_buffer.cpp:78-78 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 21 |
nb uops | 20 |
loop length | 151 |
used x86 registers | 4 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 1 |
used zmm registers | 0 |
nb stack references | 0 |
micro-operation queue | 3.33 cycles |
front end | 3.33 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 1.00 | 1.00 | 0.75 | 0.75 | 0.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 8.00 | 8.00 |
cycles | 1.00 | 1.00 | 0.75 | 0.75 | 0.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 8.00 | 8.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 1.00 |
Front-end | 3.33 |
Dispatch | 8.00 |
Data deps. | 1.00 |
Overall L1 | 8.00 |
all | 100% |
load | NA (no load vectorizable/vectorized instructions) |
store | 100% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
all | 50% |
load | NA (no load vectorizable/vectorized instructions) |
store | 50% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MOVSXD (%RAX),%RSI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
SAL $0x9,%RSI | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
VMOVUPS %YMM0,0x1e0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x1c0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x1a0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x180(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x160(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x140(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x120(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x100(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0xe0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0xc0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0xa0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x80(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x60(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x40(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x20(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
ADD $0x4,%RAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
CMP %RCX,%RAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
JNE 6fd630 <_ZN3gmx17ThreadForceBufferIA4_fE22clearForcesAndEnergiesEv+0x30> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
Function | gmx::ThreadForceBuffer |
Source file and lines | threaded_force_buffer.cpp:78-78 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 21 |
nb uops | 20 |
loop length | 151 |
used x86 registers | 4 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 1 |
used zmm registers | 0 |
nb stack references | 0 |
micro-operation queue | 3.33 cycles |
front end | 3.33 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 1.00 | 1.00 | 0.75 | 0.75 | 0.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 8.00 | 8.00 |
cycles | 1.00 | 1.00 | 0.75 | 0.75 | 0.50 | 5.67 | 5.67 | 5.67 | 0.00 | 0.00 | 0.00 | 0.00 | 8.00 | 8.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 1.00 |
Front-end | 3.33 |
Dispatch | 8.00 |
Data deps. | 1.00 |
Overall L1 | 8.00 |
all | 100% |
load | NA (no load vectorizable/vectorized instructions) |
store | 100% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
all | 50% |
load | NA (no load vectorizable/vectorized instructions) |
store | 50% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MOVSXD (%RAX),%RSI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
SAL $0x9,%RSI | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
VMOVUPS %YMM0,0x1e0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x1c0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x1a0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x180(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x160(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x140(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x120(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x100(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0xe0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0xc0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0xa0(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x80(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x60(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x40(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,0x20(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VMOVUPS %YMM0,(%RDX,%RSI,1) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
ADD $0x4,%RAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
CMP %RCX,%RAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
JNE 6fd630 <_ZN3gmx17ThreadForceBufferIA4_fE22clearForcesAndEnergiesEv+0x30> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
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 | 0.86 | 0.02 | 0.58 | 0.06 | 0.68 | 0.04 | 1.39 | 0 | 2.88 | 0 | 2.85 | 0 | 2.58 | 0 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 1.0549999475479 | 0.12655879557133 |
2x1 | 2 | 1 | 1.99 | 2 | 0.54499989748001 | 0.11692880839109 |
4x1 | 4 | 0.86 | 3.43 | 4 | 0.35499995946884 | 0.12350488454103 |
8x1 | 8 | 0.58 | 4.65 | 8 | 0.25999996066093 | 0.14668749272823 |
16x1 | 16 | 0.68 | 10.91 | 16 | 0.15499998629093 | 0.11689724028111 |
32x1 | 19 | 1.39 | 44.37 | 32 | 0.074999995529652 | 0.046265937387943 |
64x1 | 31 | 2.88 | 184.35 | 64 | 0.025000002235174 | 0.014398579485714 |
128x1 | 40 | 2.85 | 364.73 | 128 | 0.019999995827675 | 0.017019847407937 |
192x1 | 59 | 2.58 | 495.11 | 192 | 0.014999998733401 | 0.015819298103452 |