Loop Id: 17098 | Module: libgromacs_mpi.so.9.0.0 | Source: pairs.cpp:879-904 [...] | Coverage: 0.05% |
---|
Loop Id: 17098 | Module: libgromacs_mpi.so.9.0.0 | Source: pairs.cpp:879-904 [...] | Coverage: 0.05% |
---|
0xbec790 LEA (%R14,%R14,2),%R14 |
0xbec794 SAL $0x4,%R14 |
0xbec798 MOV 0x50(%RSP),%RCX [2] |
0xbec79d VMOVSS (%RCX,%R14,1),%XMM0 [4] |
0xbec7a3 VMOVSS %XMM0,0x280(%RSP,%R9,4) [2] |
0xbec7ad VMOVSS 0x4(%RCX,%R14,1),%XMM0 [4] |
0xbec7b4 VMOVSS %XMM0,0x2c0(%RSP,%R9,4) [2] |
0xbec7be VMOVSS (%RAX,%R11,4),%XMM0 [3] |
0xbec7c4 VMULSS (%RAX,%RBX,4),%XMM0,%XMM0 [3] |
0xbec7c9 VMOVSS %XMM0,0x300(%RSP,%R9,4) [2] |
0xbec7d3 LEA 0x3(%R10),%R11D |
0xbec7d7 CMP 0x48(%RSP),%R11D [2] |
0xbec7dc CMOVL %R11D,%R10D |
0xbec7e0 INC %R9 |
0xbec7e3 ADD $0x3,%R8 |
0xbec7e7 CMP $0x10,%R9 |
0xbec7eb JE bec210 |
0xbec7f1 MOVSXD %R10D,%RBX |
0xbec7f4 MOVSXD (%R12,%RBX,4),%R14 [1] |
0xbec7f8 MOVSXD 0x4(%R12,%RBX,4),%R11 [1] |
0xbec7fd MOV %R11D,0xc0(%RSP,%R9,4) [2] |
0xbec805 MOVSXD 0x8(%R12,%RBX,4),%RBX [1] |
0xbec80a MOV %EBX,0x100(%RSP,%R9,4) [2] |
0xbec812 CMP %RSI,%R8 |
0xbec815 JB bec790 |
0xbec81b MOVL $0,0x280(%RSP,%R9,4) [2] |
0xbec827 MOVL $0,0x2c0(%RSP,%R9,4) [2] |
0xbec833 MOVL $0,0x300(%RSP,%R9,4) [2] |
0xbec83f INC %R9 |
0xbec842 ADD $0x3,%R8 |
0xbec846 CMP $0x10,%R9 |
0xbec84a JNE bec7f1 |
/home/eoseret/gromacs-2024.2/src/gromacs/listed_forces/pairs.cpp: 879 - 904 |
-------------------------------------------------------------------------------- |
879: for (int s = 0; s < pack_size; s++) |
880: { |
881: int itype = iatoms[iu]; |
882: ai[s] = iatoms[iu + 1]; |
883: aj[s] = iatoms[iu + 2]; |
884: |
885: if (i + s * nfa1 < nbonds) |
886: { |
887: coeff[0 * pack_size + s] = iparams[itype].lj14.c6A; |
888: coeff[1 * pack_size + s] = iparams[itype].lj14.c12A; |
889: coeff[2 * pack_size + s] = charge[ai[s]] * charge[aj[s]]; |
890: |
891: /* Avoid indexing the iatoms array out of bounds. |
892: * We pad the coordinate indices with the last atom pair. |
893: */ |
894: if (iu + nfa1 < nbonds) |
[...] |
902: coeff[0 * pack_size + s] = 0; |
903: coeff[1 * pack_size + s] = 0; |
904: coeff[2 * pack_size + s] = 0; |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►68.68+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►16.93+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►14.40+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►73.08+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►20.60+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►6.32+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►82.88+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►15.56+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.56+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►94.90+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►5.10+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►80.77+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►10.26+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►8.55+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | (anonymous namespace)::calc_on[...] | listed_forces.cpp:334 | libgromacs_mpi.so.9.0.0 |
○ | .omp_outlined.#0xbe5d40 | listed_forces.cpp:428 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | ListedForces::calculate(gmx_wa[...] | listed_forces.cpp:387 | libgromacs_mpi.so.9.0.0 |
○ | do_force(_IO_FILE*, t_commrec [...] | sim_util.cpp:2047 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1248 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Path / |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.22 |
CQA speedup if FP arith vectorized | 1.16 |
CQA speedup if fully vectorized | 7.33 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.16 |
Bottlenecks | |
Function | do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef |
Source | pairs.cpp:879-894,pairs.cpp:902-904 |
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 | 3.67 |
CQA cycles if no scalar integer | 3.00 |
CQA cycles if FP arith vectorized | 3.17 |
CQA cycles if fully vectorized | 0.50 |
Front-end cycles | 3.17 |
P0 cycles | 2.63 |
P1 cycles | 2.63 |
P2 cycles | 2.63 |
P3 cycles | 2.63 |
P4 cycles | 1.00 |
P5 cycles | 3.67 |
P6 cycles | 3.67 |
P7 cycles | 3.67 |
P8 cycles | 0.25 |
P9 cycles | 0.25 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
P12 cycles | 0.75 |
P13 cycles | 0.75 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 2 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 20.00 |
Nb uops | 19.00 |
Nb loads | 6.00 |
Nb stores | 5.00 |
Nb stack references | 1.00 |
FLOP/cycle | 0.14 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 0.50 |
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 | 12.43 |
Bytes prefetched | 0.00 |
Bytes loaded | 26.00 |
Bytes stored | 20.00 |
Stride 0 | 0.50 |
Stride 1 | 0.00 |
Stride n | 1.00 |
Stride unknown | 1.00 |
Stride indirect | 1.50 |
Vectorization ratio all | 0.00 |
Vectorization ratio load | 0.00 |
Vectorization ratio store | 0.00 |
Vectorization ratio mul | 0.00 |
Vectorization ratio add_sub | 0.00 |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 0.00 |
Vector-efficiency ratio all | 7.92 |
Vector-efficiency ratio load | 9.38 |
Vector-efficiency ratio store | 6.25 |
Vector-efficiency ratio mul | 6.25 |
Vector-efficiency ratio add_sub | 12.50 |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 10.94 |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.00 |
CQA speedup if FP arith vectorized | 1.00 |
CQA speedup if fully vectorized | 7.53 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.14 |
Bottlenecks | P5, P6, P7, |
Function | do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef |
Source | pairs.cpp:879-894,pairs.cpp:902-904 |
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 | 2.67 |
CQA cycles if no scalar integer | 2.67 |
CQA cycles if FP arith vectorized | 2.67 |
CQA cycles if fully vectorized | 0.35 |
Front-end cycles | 2.33 |
P0 cycles | 2.00 |
P1 cycles | 2.00 |
P2 cycles | 2.00 |
P3 cycles | 2.00 |
P4 cycles | 1.00 |
P5 cycles | 2.67 |
P6 cycles | 2.67 |
P7 cycles | 2.67 |
P8 cycles | 0.00 |
P9 cycles | 0.00 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
P12 cycles | 0.00 |
P13 cycles | 0.00 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 2 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 15.00 |
Nb uops | 14.00 |
Nb loads | 3.00 |
Nb stores | 5.00 |
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 | 12.00 |
Bytes prefetched | 0.00 |
Bytes loaded | 12.00 |
Bytes stored | 20.00 |
Stride 0 | 0.00 |
Stride 1 | 0.00 |
Stride n | 1.00 |
Stride unknown | 0.00 |
Stride indirect | 1.00 |
Vectorization ratio all | 0.00 |
Vectorization ratio load | 0.00 |
Vectorization ratio store | 0.00 |
Vectorization ratio mul | NA |
Vectorization ratio add_sub | 0.00 |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 0.00 |
Vector-efficiency ratio all | 9.03 |
Vector-efficiency ratio load | 12.50 |
Vector-efficiency ratio store | 6.25 |
Vector-efficiency ratio mul | NA |
Vector-efficiency ratio add_sub | 12.50 |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 12.50 |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.40 |
CQA speedup if FP arith vectorized | 1.27 |
CQA speedup if fully vectorized | 7.23 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.17 |
Bottlenecks | P5, P6, P7, |
Function | do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef |
Source | pairs.cpp:879-894,pairs.cpp:902-904 |
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 | 3.33 |
CQA cycles if FP arith vectorized | 3.67 |
CQA cycles if fully vectorized | 0.65 |
Front-end cycles | 4.00 |
P0 cycles | 3.25 |
P1 cycles | 3.25 |
P2 cycles | 3.25 |
P3 cycles | 3.25 |
P4 cycles | 1.00 |
P5 cycles | 4.67 |
P6 cycles | 4.67 |
P7 cycles | 4.67 |
P8 cycles | 0.50 |
P9 cycles | 0.50 |
P10 cycles | 0.00 |
P11 cycles | 0.00 |
P12 cycles | 1.50 |
P13 cycles | 1.50 |
DIV/SQRT cycles | 0.00 |
Inter-iter dependencies cycles | 2 |
FE+BE cycles (UFS) | NA |
Stall cycles (UFS) | NA |
Nb insns | 25.00 |
Nb uops | 24.00 |
Nb loads | 9.00 |
Nb stores | 5.00 |
Nb stack references | 2.00 |
FLOP/cycle | 0.21 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 1.00 |
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 | 12.86 |
Bytes prefetched | 0.00 |
Bytes loaded | 40.00 |
Bytes stored | 20.00 |
Stride 0 | 1.00 |
Stride 1 | 0.00 |
Stride n | 1.00 |
Stride unknown | 2.00 |
Stride indirect | 2.00 |
Vectorization ratio all | 0.00 |
Vectorization ratio load | 0.00 |
Vectorization ratio store | 0.00 |
Vectorization ratio mul | 0.00 |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | NA |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 0.00 |
Vector-efficiency ratio all | 6.82 |
Vector-efficiency ratio load | 6.25 |
Vector-efficiency ratio store | 6.25 |
Vector-efficiency ratio mul | 6.25 |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | NA |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 9.38 |
Path / |
Function | do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef |
Source file and lines | pairs.cpp:879-904 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 20 |
nb uops | 19 |
loop length | 115 |
used x86 registers | 10 |
used mmx registers | 0 |
used xmm registers | 0.50 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 1 |
micro-operation queue | 3.17 cycles |
front end | 3.17 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 2.63 | 2.63 | 2.63 | 2.63 | 1.00 | 3.67 | 3.67 | 3.67 | 0.25 | 0.25 | 0.00 | 0.00 | 0.75 | 0.75 |
cycles | 2.63 | 2.63 | 2.63 | 2.63 | 1.00 | 3.67 | 3.67 | 3.67 | 0.25 | 0.25 | 0.00 | 0.00 | 0.75 | 0.75 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 2.00 |
Front-end | 3.17 |
Dispatch | 3.67 |
Data deps. | 2.00 |
Overall L1 | 3.67 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 0% |
all | 0% |
load | 0% |
store | 0% |
mul | 0% |
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 | 0% |
load | 0% |
store | 0% |
mul | 0% |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 8% |
load | 9% |
store | 6% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 10% |
all | 6% |
load | 6% |
store | 6% |
mul | 6% |
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 | 7% |
load | 9% |
store | 6% |
mul | 6% |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 10% |
Function | do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef |
Source file and lines | pairs.cpp:879-904 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 15 |
nb uops | 14 |
loop length | 91 |
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 | 2.33 cycles |
front end | 2.33 cycles |
ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uops | 2.00 | 2.00 | 2.00 | 2.00 | 1.00 | 2.67 | 2.67 | 2.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
cycles | 2.00 | 2.00 | 2.00 | 2.00 | 1.00 | 2.67 | 2.67 | 2.67 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 2.00 |
Front-end | 2.33 |
Dispatch | 2.67 |
Data deps. | 2.00 |
Overall L1 | 2.67 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 0% |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 9% |
load | 12% |
store | 6% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | 12% |
fma | NA (no fma vectorizable/vectorized instructions) |
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MOVSXD %R10D,%RBX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOVSXD (%R12,%RBX,4),%R14 | 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 | scal (12.5%) |
MOVSXD 0x4(%R12,%RBX,4),%R11 | 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 | scal (12.5%) |
MOV %R11D,0xc0(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVSXD 0x8(%R12,%RBX,4),%RBX | 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 |
MOV %EBX,0x100(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
CMP %RSI,%R8 | 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%) |
JB bec790 <_Z8do_pairsiiPKiPK9t_iparamsPA3_KfPA4_fPA3_fPK5t_pbcPS4_PfN3gmx8ArrayRefIS4_EESI_NSH_IKbEENSH_IKtEEiPK10t_forcerecbRKNSG_12StepWorkloadEP17gmx_grppairener_tPi+0xa00> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
MOVL $0,0x280(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVL $0,0x2c0(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVL $0,0x300(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
INC %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 |
ADD $0x3,%R8 | 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%) |
CMP $0x10,%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 bec7f1 <_Z8do_pairsiiPKiPK9t_iparamsPA3_KfPA4_fPA3_fPK5t_pbcPS4_PfN3gmx8ArrayRefIS4_EESI_NSH_IKbEENSH_IKtEEiPK10t_forcerecbRKNSG_12StepWorkloadEP17gmx_grppairener_tPi+0xa61> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
Function | do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef |
Source file and lines | pairs.cpp:879-904 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 25 |
nb uops | 24 |
loop length | 139 |
used x86 registers | 11 |
used mmx registers | 0 |
used xmm registers | 1 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 2 |
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 | 3.25 | 3.25 | 3.25 | 3.25 | 1.00 | 4.67 | 4.67 | 4.67 | 0.50 | 0.50 | 0.00 | 0.00 | 1.50 | 1.50 |
cycles | 3.25 | 3.25 | 3.25 | 3.25 | 1.00 | 4.67 | 4.67 | 4.67 | 0.50 | 0.50 | 0.00 | 0.00 | 1.50 | 1.50 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 2.00 |
Front-end | 4.00 |
Dispatch | 4.67 |
Data deps. | 2.00 |
Overall L1 | 4.67 |
all | 0% |
load | 0% |
store | 0% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 0% |
all | 0% |
load | 0% |
store | 0% |
mul | 0% |
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 | 0% |
load | 0% |
store | 0% |
mul | 0% |
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 | 0% |
all | 7% |
load | 6% |
store | 6% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 9% |
all | 6% |
load | 6% |
store | 6% |
mul | 6% |
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 | 6% |
load | 6% |
store | 6% |
mul | 6% |
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 | 9% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LEA (%R14,%R14,2),%R14 | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
SAL $0x4,%R14 | 1 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
MOV 0x50(%RSP),%RCX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
VMOVSS (%RCX,%R14,1),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,0x280(%RSP,%R9,4) | 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%) |
VMOVSS 0x4(%RCX,%R14,1),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
VMOVSS %XMM0,0x2c0(%RSP,%R9,4) | 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%) |
VMOVSS (%RAX,%R11,4),%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
VMULSS (%RAX,%RBX,4),%XMM0,%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 %XMM0,0x300(%RSP,%R9,4) | 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%) |
LEA 0x3(%R10),%R11D | 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 0x48(%RSP),%R11D | 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 | scal (6.3%) |
CMOVL %R11D,%R10D | 1 | 0.50 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
INC %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 |
ADD $0x3,%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 |
CMP $0x10,%R9 | 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%) |
JE bec210 <_Z8do_pairsiiPKiPK9t_iparamsPA3_KfPA4_fPA3_fPK5t_pbcPS4_PfN3gmx8ArrayRefIS4_EESI_NSH_IKbEENSH_IKtEEiPK10t_forcerecbRKNSG_12StepWorkloadEP17gmx_grppairener_tPi+0x480> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
MOVSXD %R10D,%RBX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOVSXD (%R12,%RBX,4),%R14 | 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 |
MOVSXD 0x4(%R12,%RBX,4),%R11 | 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 |
MOV %R11D,0xc0(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
MOVSXD 0x8(%R12,%RBX,4),%RBX | 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 |
MOV %EBX,0x100(%RSP,%R9,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (6.3%) |
CMP %RSI,%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 |
JB bec790 <_Z8do_pairsiiPKiPK9t_iparamsPA3_KfPA4_fPA3_fPK5t_pbcPS4_PfN3gmx8ArrayRefIS4_EESI_NSH_IKbEENSH_IKtEEiPK10t_forcerecbRKNSG_12StepWorkloadEP17gmx_grppairener_tPi+0xa00> | 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 | 0.95 | 0.01 | 0.81 | 0.04 | 0.64 | 0.07 | 0.9 | 0.01 | 1.28 | 0 | 1.68 | 0 | 1.39 | 0 | 1.25 | 0 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 1.649999499321 | 0.19793552160263 |
2x1 | 2 | 0.95 | 1.91 | 2 | 0.98500001430511 | 0.19083555042744 |
4x1 | 4 | 0.81 | 3.26 | 4 | 0.63999980688095 | 0.20332962274551 |
8x1 | 8 | 0.64 | 5.13 | 8 | 0.44500002264977 | 0.20770648121834 |
16x1 | 16 | 0.9 | 14.44 | 16 | 0.19999998807907 | 0.1381509155035 |
32x1 | 19 | 1.28 | 41.04 | 32 | 0.15499998629093 | 0.07822547852993 |
64x1 | 34 | 1.68 | 107.39 | 64 | 0.064999990165234 | 0.03865883871913 |
128x1 | 60 | 1.39 | 177.96 | 128 | 0.059999994933605 | 0.054556906223297 |
192x1 | 95 | 1.25 | 239.4 | 192 | 0.044999990612268 | 0.051168087869883 |