Function: globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | Module: libgromacs_mpi.so.9.0.0 | Source: reversetopology.cpp:133-166 [...] | Coverage (incl. loops): 0.01% | (excl. loops): 0.01% |
---|
Function: globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int) | Module: libgromacs_mpi.so.9.0.0 | Source: reversetopology.cpp:133-166 [...] | Coverage (incl. loops): 0.01% | (excl. loops): 0.01% |
---|
/home/eoseret/gromacs-2024.2/src/gromacs/domdec/reversetopology.cpp: 133 - 166 |
-------------------------------------------------------------------------------- |
133: { |
[...] |
141: mid = (start + end) / 2; |
142: if (globalAtomIndex >= molblockIndices[mid].a_end) |
143: { |
144: start = mid + 1; |
145: } |
146: else if (globalAtomIndex < molblockIndices[mid].a_start) |
[...] |
162: mtai.moleculeIndex = (globalAtomIndex - mbi.a_start) / mbi.natoms_mol; |
163: mtai.atomIndex = (globalAtomIndex - mbi.a_start) - mtai.moleculeIndex * mbi.natoms_mol; |
164: |
165: return mtai; |
166: } |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/utility/arrayref.h: 85 - 85 |
-------------------------------------------------------------------------------- |
85: constexpr auto operator-(ArrayRefIter other) const noexcept { return it_ - other.it_; } |
0x6c7840 PUSH %RBP |
0x6c7841 MOV %RSP,%RBP |
0x6c7844 MOV %EDX,%EAX |
0x6c7846 SUB %RDI,%RSI |
0x6c7849 SHR $0x4,%RSI |
0x6c784d XOR %EDX,%EDX |
0x6c784f JMP 6c7864 |
0x6c7851 NOPW %CS:(%RAX,%RAX,1) |
(3618) 0x6c7860 INC %ECX |
(3618) 0x6c7862 MOV %ECX,%EDX |
(3618) 0x6c7864 LEA (%RDX,%RSI,1),%R8D |
(3618) 0x6c7868 MOV %R8D,%ECX |
(3618) 0x6c786b SHR $0x1f,%ECX |
(3618) 0x6c786e ADD %R8D,%ECX |
(3618) 0x6c7871 SAR $0x1,%ECX |
(3618) 0x6c7873 MOVSXD %ECX,%R8 |
(3618) 0x6c7876 SAL $0x4,%R8 |
(3618) 0x6c787a CMP %EAX,0x4(%RDI,%R8,1) |
(3618) 0x6c787f JLE 6c7860 |
(3618) 0x6c7881 MOV (%RDI,%R8,1),%R9D |
(3618) 0x6c7885 MOV %ECX,%ESI |
(3618) 0x6c7887 CMP %EAX,%R9D |
(3618) 0x6c788a JG 6c7864 |
0x6c788c SUB %R9D,%EAX |
0x6c788f CLTD |
0x6c7890 IDIVL 0x8(%RDI,%R8,1) |
0x6c7895 MOV 0xc(%RDI,%R8,1),%ESI |
0x6c789a SAL $0x20,%RSI |
0x6c789e MOV %ECX,%ECX |
0x6c78a0 OR %RSI,%RCX |
0x6c78a3 SAL $0x20,%RDX |
0x6c78a7 OR %RAX,%RDX |
0x6c78aa MOV %RCX,%RAX |
0x6c78ad POP %RBP |
0x6c78ae RET |
0x6c78af NOP |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | void make_exclusions_zone<true[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
---|---|---|---|
►100.00+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
---|---|---|---|
►100.00+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
---|---|---|---|
►82.61+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 | |
►13.04+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
►4.35+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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:368 | 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 |
---|---|---|---|
►82.61+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 | |
►13.04+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
►4.35+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►73.81+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 | |
►19.05+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
►4.76+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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:368 | 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+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►94.34+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 | |
►5.66+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►87.80+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 | |
►7.32+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
►4.88+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►98.51+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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 | |
►1.49+ | void make_exclusions_zone<fals[...] | localtopology.cpp:748 | libgromacs_mpi.so.9.0.0 |
○ | .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:368 | 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 / |
The code analyzed by CQA in that panel excludes loops and represents 0.01% of application time for run 1x1
Source file and lines | reversetopology.cpp:133-166 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 21 |
nb uops | 20 |
loop length | 68 |
used x86 registers | 9 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 0 |
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 | 2.25 | 2.25 | 2.25 | 2.25 | 2.00 | 0.67 | 0.67 | 0.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
cycles | 2.25 | 2.25 | 2.25 | 2.25 | 2.00 | 0.67 | 0.67 | 0.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Cycles executing div or sqrt instructions | 6.00 |
Front-end | 3.33 |
Dispatch | 2.25 |
DIV/SQRT | 6.00 |
Overall L1 | 6.00 |
all | 0% |
load | 0% |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | 0% |
other | 0% |
all | 9% |
load | 6% |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | 6% |
other | 10% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PUSH %RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
MOV %RSP,%RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV %EDX,%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
SUB %RDI,%RSI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
SHR $0x4,%RSI | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
XOR %EDX,%EDX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | scal (6.3%) |
JMP 6c7864 <_Z31globalAtomIndexToMoltypeIndicesN3gmx8ArrayRefIK15MolblockIndicesEEi+0x24> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
NOPW %CS:(%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
SUB %R9D,%EAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
CLTD | scal (6.3%) | |||||||||||||||||
IDIVL 0x8(%RDI,%R8,1) | 3 | 2 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 10-17 | 6 | scal (6.3%) |
MOV 0xc(%RDI,%R8,1),%ESI | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
SAL $0x20,%RSI | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
MOV %ECX,%ECX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (6.3%) |
OR %RSI,%RCX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
SAL $0x20,%RDX | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
OR %RAX,%RDX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
MOV %RCX,%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
POP %RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
RET | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
NOP | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
The code analyzed by CQA in that panel excludes loops and represents 0.01% of application time for run 1x1
Source file and lines | reversetopology.cpp:133-166 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 21 |
nb uops | 20 |
loop length | 68 |
used x86 registers | 9 |
used mmx registers | 0 |
used xmm registers | 0 |
used ymm registers | 0 |
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 | 2.25 | 2.25 | 2.25 | 2.25 | 2.00 | 0.67 | 0.67 | 0.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
cycles | 2.25 | 2.25 | 2.25 | 2.25 | 2.00 | 0.67 | 0.67 | 0.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Cycles executing div or sqrt instructions | 6.00 |
Front-end | 3.33 |
Dispatch | 2.25 |
DIV/SQRT | 6.00 |
Overall L1 | 6.00 |
all | 0% |
load | 0% |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | 0% |
other | 0% |
all | 9% |
load | 6% |
store | NA (no store vectorizable/vectorized instructions) |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | 6% |
other | 10% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PUSH %RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
MOV %RSP,%RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV %EDX,%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
SUB %RDI,%RSI | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
SHR $0x4,%RSI | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
XOR %EDX,%EDX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | scal (6.3%) |
JMP 6c7864 <_Z31globalAtomIndexToMoltypeIndicesN3gmx8ArrayRefIK15MolblockIndicesEEi+0x24> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
NOPW %CS:(%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
SUB %R9D,%EAX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
CLTD | scal (6.3%) | |||||||||||||||||
IDIVL 0x8(%RDI,%R8,1) | 3 | 2 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 10-17 | 6 | scal (6.3%) |
MOV 0xc(%RDI,%R8,1),%ESI | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | scal (6.3%) |
SAL $0x20,%RSI | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
MOV %ECX,%ECX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (6.3%) |
OR %RSI,%RCX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
SAL $0x20,%RDX | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
OR %RAX,%RDX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (12.5%) |
MOV %RCX,%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
POP %RBP | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
RET | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
NOP | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | 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 | 1.31 | -0 | 1.17 | -0 | 0.91 | 0 | 0.91 | 0 | 0.5 | 0.01 | 0.39 | 0.01 | 0.5 | 0 | 0.31 | 0.01 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.10499998927116 | 0.012595898471773 |
2x1 | 2 | 1.31 | 2.62 | 2 | 0.044999998062849 | 0.0088248448446393 |
4x1 | 4 | 1.17 | 4.66 | 4 | 0.030000001192093 | 0.0090372450649738 |
8x1 | 6 | 0.91 | 7.3 | 8 | 0.025000002235174 | 0.0092943469062448 |
16x1 | 14 | 0.91 | 14.54 | 16 | 0.01999999769032 | 0.0087292874231935 |
32x1 | 17 | 0.5 | 15.98 | 32 | 0.024999996647239 | 0.012783821672201 |
64x1 | 31 | 0.39 | 25.27 | 64 | 0.019999995827675 | 0.010453784838319 |
128x1 | 30 | 0.5 | 64.63 | 128 | 0.014999998733401 | 0.0095590995624661 |
192x1 | 53 | 0.31 | 59.57 | 192 | 0.024999998509884 | 0.013084878213704 |
Name | Coverage (%) | Time (s) |
---|---|---|
▼globalAtomIndexToMoltypeIndices(gmx::ArrayRef | 0.01 | 0.00 |
○Loop 3618 - reversetopology.cpp:141-146 - libgromacs_mpi.so.9.0.0 | 0.01 | 0.01 |