Loop Id: 14925 | Module: libgromacs_mpi.so.9.0.0 | Source: lincs.cpp:1135-1137 [...] | Coverage: 0.07% |
---|
Loop Id: 14925 | Module: libgromacs_mpi.so.9.0.0 | Source: lincs.cpp:1135-1137 [...] | Coverage: 0.07% |
---|
0xb03020 VMOVSD (%RDX),%XMM0 [4] |
0xb03024 VMOVSS 0x8(%RDX),%XMM1 [4] |
0xb03029 MOVSXD (%RBX,%RSI,4),%R8 [5] |
0xb0302d LEA (%R8,%R8,2),%R8 |
0xb03031 VMOVSD (%R11,%R8,4),%XMM2 [3] |
0xb03037 VMULPS %XMM2,%XMM0,%XMM3 |
0xb0303b VMOVSHDUP %XMM3,%XMM3 |
0xb0303f VFMADD231SS %XMM2,%XMM0,%XMM3 |
0xb03044 VFMADD231SS 0x8(%R11,%R8,4),%XMM1,%XMM3 [3] |
0xb0304b VMULSS (%R14,%RSI,4),%XMM3,%XMM0 [2] |
0xb03051 VMOVSS %XMM0,(%R13,%RSI,4) [1] |
0xb03058 VMOVSD (%RDX),%XMM0 [4] |
0xb0305c VMOVSS 0x8(%RDX),%XMM1 [4] |
0xb03061 MOVSXD 0x4(%RBX,%RSI,4),%R8 [5] |
0xb03066 LEA (%R8,%R8,2),%R8 |
0xb0306a VMOVSD (%R11,%R8,4),%XMM2 [3] |
0xb03070 VMULPS %XMM2,%XMM0,%XMM3 |
0xb03074 VMOVSHDUP %XMM3,%XMM3 |
0xb03078 VFMADD231SS %XMM2,%XMM0,%XMM3 |
0xb0307d VFMADD231SS 0x8(%R11,%R8,4),%XMM1,%XMM3 [3] |
0xb03084 VMULSS 0x4(%R14,%RSI,4),%XMM3,%XMM0 [2] |
0xb0308b VMOVSS %XMM0,0x4(%R13,%RSI,4) [1] |
0xb03092 ADD $0x2,%RSI |
0xb03096 CMP %RSI,%R9 |
0xb03099 JNE b03020 |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/math/vectypes.h: 181 - 181 |
-------------------------------------------------------------------------------- |
181: return x_[0] * right[0] + x_[1] * right[1] + x_[2] * right[2]; |
/home/eoseret/gromacs-2024.2/src/gromacs/mdlib/lincs.cpp: 1135 - 1137 |
-------------------------------------------------------------------------------- |
1135: for (int n = blnr[b]; n < blnr[b + 1]; n++) |
1136: { |
1137: blcc[n] = blmf[n] * gmx::dot(r[b], r[blbnb[n]]); |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/utility/arrayref.h: 82 - 82 |
-------------------------------------------------------------------------------- |
82: it_ += i; |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►67.06+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►19.91+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
►13.03+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
---|---|---|---|
►83.07+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►15.02+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
►1.92+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►82.49+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►17.51+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►96.48+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.52+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►84.72+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.31+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
►6.64+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
►1.33+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | main | gmx.cpp:58 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | gmx::constrain_lincs(bool, t_i[...] | lincs.cpp:2534 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Constraints::Impl::apply([...] | constr.cpp:512 | 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 |
○ | 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 | 1.12 |
CQA speedup if fully vectorized | 5.33 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.17 |
Bottlenecks | P5, P6, P7, |
Function | .omp_outlined..37 |
Source | vectypes.h:181-181,lincs.cpp:1135-1137,arrayref.h:82-82 |
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 | 4.67 |
CQA cycles if no scalar integer | 4.67 |
CQA cycles if FP arith vectorized | 4.17 |
CQA cycles if fully vectorized | 0.88 |
Front-end cycles | 4.00 |
P0 cycles | 1.50 |
P1 cycles | 1.50 |
P2 cycles | 1.25 |
P3 cycles | 1.25 |
P4 cycles | 0.50 |
P5 cycles | 4.67 |
P6 cycles | 4.67 |
P7 cycles | 4.67 |
P8 cycles | 4.00 |
P9 cycles | 4.00 |
P10 cycles | 1.00 |
P11 cycles | 1.00 |
P12 cycles | 1.00 |
P13 cycles | 1.00 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 1 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 25.00 |
Nb uops | 24.00 |
Nb loads | 12.00 |
Nb stores | 2.00 |
Nb stack references | 0.00 |
FLOP/cycle | 3.86 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 10.00 |
Nb FLOP fma | 4.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 15.43 |
Bytes prefetched | 0.00 |
Bytes loaded | 64.00 |
Bytes stored | 8.00 |
Stride 0 | 1.00 |
Stride 1 | 3.00 |
Stride n | 0.00 |
Stride unknown | 1.00 |
Stride indirect | 0.00 |
Vectorization ratio all | 22.22 |
Vectorization ratio load | 0.00 |
Vectorization ratio store | 0.00 |
Vectorization ratio mul | 50.00 |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | 0.00 |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 100.00 |
Vector-efficiency ratio all | 10.42 |
Vector-efficiency ratio load | 8.75 |
Vector-efficiency ratio store | 6.25 |
Vector-efficiency ratio mul | 15.63 |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | 6.25 |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 12.50 |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.00 |
CQA speedup if FP arith vectorized | 1.12 |
CQA speedup if fully vectorized | 5.33 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.17 |
Bottlenecks | P5, P6, P7, |
Function | .omp_outlined..37 |
Source | vectypes.h:181-181,lincs.cpp:1135-1137,arrayref.h:82-82 |
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 | 4.67 |
CQA cycles if no scalar integer | 4.67 |
CQA cycles if FP arith vectorized | 4.17 |
CQA cycles if fully vectorized | 0.88 |
Front-end cycles | 4.00 |
P0 cycles | 1.50 |
P1 cycles | 1.50 |
P2 cycles | 1.25 |
P3 cycles | 1.25 |
P4 cycles | 0.50 |
P5 cycles | 4.67 |
P6 cycles | 4.67 |
P7 cycles | 4.67 |
P8 cycles | 4.00 |
P9 cycles | 4.00 |
P10 cycles | 1.00 |
P11 cycles | 1.00 |
P12 cycles | 1.00 |
P13 cycles | 1.00 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 1 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 25.00 |
Nb uops | 24.00 |
Nb loads | 12.00 |
Nb stores | 2.00 |
Nb stack references | 0.00 |
FLOP/cycle | 3.86 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 10.00 |
Nb FLOP fma | 4.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 15.43 |
Bytes prefetched | 0.00 |
Bytes loaded | 64.00 |
Bytes stored | 8.00 |
Stride 0 | 1.00 |
Stride 1 | 3.00 |
Stride n | 0.00 |
Stride unknown | 1.00 |
Stride indirect | 0.00 |
Vectorization ratio all | 22.22 |
Vectorization ratio load | 0.00 |
Vectorization ratio store | 0.00 |
Vectorization ratio mul | 50.00 |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | 0.00 |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 100.00 |
Vector-efficiency ratio all | 10.42 |
Vector-efficiency ratio load | 8.75 |
Vector-efficiency ratio store | 6.25 |
Vector-efficiency ratio mul | 15.63 |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | 6.25 |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 12.50 |
Path / |
Function | .omp_outlined..37 |
Source file and lines | lincs.cpp:1135-1137 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 25 |
nb uops | 24 |
loop length | 123 |
used x86 registers | 8 |
used mmx registers | 0 |
used xmm registers | 4 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 0 |
micro-operation queue | 4.00 cycles |
front end | 4.00 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 1.50 | 1.50 | 1.25 | 1.25 | 0.50 | 4.67 | 4.67 | 4.67 | 4.00 | 4.00 | 1.00 | 1.00 | 1.00 | 1.00 |
cycles | 1.50 | 1.50 | 1.25 | 1.25 | 0.50 | 4.67 | 4.67 | 4.67 | 4.00 | 4.00 | 1.00 | 1.00 | 1.00 | 1.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 1.00 |
Front-end | 4.00 |
Dispatch | 4.67 |
Data deps. | 1.00 |
Overall L1 | 4.67 |
all | 22% |
load | 0% |
store | 0% |
mul | 50% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 0% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 100% |
all | 10% |
load | 8% |
store | 6% |
mul | 15% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 6% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 12% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
VMOVSD (%RDX),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMOVSS 0x8(%RDX),%XMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
MOVSXD (%RBX,%RSI,4),%R8 | 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 |
LEA (%R8,%R8,2),%R8 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
VMOVSD (%R11,%R8,4),%XMM2 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMULPS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | vect (25.0%) |
VMOVSHDUP %XMM3,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 1 | 0.33 | vect (12.5%) |
VFMADD231SS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VFMADD231SS 0x8(%R11,%R8,4),%XMM1,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VMULSS (%R14,%RSI,4),%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,(%R13,%RSI,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VMOVSD (%RDX),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMOVSS 0x8(%RDX),%XMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
MOVSXD 0x4(%RBX,%RSI,4),%R8 | 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 |
LEA (%R8,%R8,2),%R8 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
VMOVSD (%R11,%R8,4),%XMM2 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMULPS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | vect (25.0%) |
VMOVSHDUP %XMM3,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 1 | 0.33 | vect (12.5%) |
VFMADD231SS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VFMADD231SS 0x8(%R11,%R8,4),%XMM1,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VMULSS 0x4(%R14,%RSI,4),%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,0x4(%R13,%RSI,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
ADD $0x2,%RSI | 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 %RSI,%R9 | 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 b03020 <.omp_outlined..37+0x880> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
Function | .omp_outlined..37 |
Source file and lines | lincs.cpp:1135-1137 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 25 |
nb uops | 24 |
loop length | 123 |
used x86 registers | 8 |
used mmx registers | 0 |
used xmm registers | 4 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 0 |
micro-operation queue | 4.00 cycles |
front end | 4.00 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 1.50 | 1.50 | 1.25 | 1.25 | 0.50 | 4.67 | 4.67 | 4.67 | 4.00 | 4.00 | 1.00 | 1.00 | 1.00 | 1.00 |
cycles | 1.50 | 1.50 | 1.25 | 1.25 | 0.50 | 4.67 | 4.67 | 4.67 | 4.00 | 4.00 | 1.00 | 1.00 | 1.00 | 1.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 1.00 |
Front-end | 4.00 |
Dispatch | 4.67 |
Data deps. | 1.00 |
Overall L1 | 4.67 |
all | 22% |
load | 0% |
store | 0% |
mul | 50% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 0% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 100% |
all | 10% |
load | 8% |
store | 6% |
mul | 15% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 6% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 12% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
VMOVSD (%RDX),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMOVSS 0x8(%RDX),%XMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
MOVSXD (%RBX,%RSI,4),%R8 | 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 |
LEA (%R8,%R8,2),%R8 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
VMOVSD (%R11,%R8,4),%XMM2 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMULPS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | vect (25.0%) |
VMOVSHDUP %XMM3,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 1 | 0.33 | vect (12.5%) |
VFMADD231SS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VFMADD231SS 0x8(%R11,%R8,4),%XMM1,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VMULSS (%R14,%RSI,4),%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,(%R13,%RSI,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
VMOVSD (%RDX),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMOVSS 0x8(%RDX),%XMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
MOVSXD 0x4(%RBX,%RSI,4),%R8 | 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 |
LEA (%R8,%R8,2),%R8 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
VMOVSD (%R11,%R8,4),%XMM2 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (12.5%) |
VMULPS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | vect (25.0%) |
VMOVSHDUP %XMM3,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 1 | 0.33 | vect (12.5%) |
VFMADD231SS %XMM2,%XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VFMADD231SS 0x8(%R11,%R8,4),%XMM1,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
VMULSS 0x4(%R14,%RSI,4),%XMM3,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,0x4(%R13,%RSI,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 1 | 1 | scal (6.3%) |
ADD $0x2,%RSI | 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 %RSI,%R9 | 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 b03020 <.omp_outlined..37+0x880> | 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 | 0.87 | 0.02 | 0.72 | 0.06 | 0.68 | 0.05 | 0.92 | 0.01 | 0.97 | 0 | 0.84 | 0.01 | 0.95 | 0 | 0.8 | 0.01 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 1.4449994564056 | 0.17334350943565 |
2x1 | 2 | 0.87 | 1.74 | 2 | 0.86500000953674 | 0.18311448395252 |
4x1 | 4 | 0.72 | 2.9 | 4 | 0.66999995708466 | 0.20031547546387 |
8x1 | 8 | 0.68 | 5.48 | 8 | 0.41999995708466 | 0.17053017020226 |
16x1 | 16 | 0.92 | 14.71 | 16 | 0.19999997317791 | 0.11879512667656 |
32x1 | 18 | 0.97 | 31.1 | 32 | 0.1499999910593 | 0.09040093421936 |
64x1 | 37 | 0.84 | 54.06 | 64 | 0.10499999672174 | 0.067258656024933 |
128x1 | 60 | 0.95 | 121.16 | 128 | 0.07999999076128 | 0.07017757743597 |
192x1 | 95 | 0.8 | 153.86 | 192 | 0.064999990165234 | 0.06972149014473 |