Function: int make_bondeds_zone<false>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la ... | Module: libgromacs_mpi.so.9.0.0 | Source: localtopology.cpp:104-716 [...] | Coverage (incl. loops): 0.02% | (excl. loops): 0.00% |
---|
Function: int make_bondeds_zone<false>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la ... | Module: libgromacs_mpi.so.9.0.0 | Source: localtopology.cpp:104-716 [...] | Coverage (incl. loops): 0.02% | (excl. loops): 0.00% |
---|
/home/eoseret/gromacs-2024.2/src/gromacs/domdec/localtopology.cpp: 104 - 716 |
-------------------------------------------------------------------------------- |
104: [globalAtomIndex](const MolblockIndices& mbi) { return mbi.a_end <= globalAtomIndex; }); |
105: |
106: AtomInMolblock aim; |
107: |
108: aim.molblockIndex = std::distance(molblockIndices.begin(), molblockIt); |
109: aim.moleculeType = molblockIt->type; |
110: aim.moleculeIndex = (globalAtomIndex - molblockIt->a_start) / molblockIt->natoms_mol; |
111: aim.atomIndexInMolecule = |
112: (globalAtomIndex - molblockIt->a_start) - (aim.moleculeIndex) * molblockIt->natoms_mol; |
[...] |
653: { |
654: const auto ddBondedChecking = rt.options().ddBondedChecking_; |
655: |
656: int numBondedInteractions = 0; |
657: |
658: for (int atomIndexLocal : atomRange) |
659: { |
660: /* Get the global atom number */ |
661: const int atomIndexGlobal = globalAtomIndices[atomIndexLocal]; |
662: const auto aim = atomInMolblockFromGlobalAtomnr(rt.molblockIndices(), atomIndexGlobal); |
663: |
664: const AtomIndexSet atomIndexMol = { atomIndexLocal, atomIndexGlobal, aim.atomIndexInMolecule }; |
665: const auto& ilistMol = rt.interactionListForMoleculeType(aim.moleculeType); |
666: numBondedInteractions += assignInteractionsForAtom<haveSingleDomain>(atomIndexMol, |
[...] |
681: if (izone == 0 && rt.hasPositionRestraints()) |
682: { |
683: numBondedInteractions += |
684: assignPositionRestraintsForAtom(atomIndexMol, |
685: aim.moleculeIndex, |
686: ilistMol.numAtomsInMolecule, |
687: rt.interactionListForMoleculeType(aim.moleculeType), |
688: molb[aim.molblockIndex], |
689: ip_in, |
690: idef); |
691: } |
692: |
693: if (rt.hasIntermolecularInteractions()) |
694: { |
695: /* Check all intermolecular interactions assigned to this atom. |
696: * Note that we will index the intermolecular reverse ilist with atomIndexGlobal. |
697: */ |
698: const AtomIndexSet atomIndexIntermol = { atomIndexLocal, atomIndexGlobal, atomIndexGlobal }; |
699: numBondedInteractions += assignInteractionsForAtom<haveSingleDomain>( |
700: atomIndexIntermol, |
701: rt.interactionListForIntermolecularInteractions(), |
[...] |
716: return numBondedInteractions; |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 1064 - 1064 |
-------------------------------------------------------------------------------- |
1064: return *(this->_M_impl._M_start + __n); |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/utility/arrayref.h: 82 - 85 |
-------------------------------------------------------------------------------- |
82: it_ += i; |
83: return *this; |
84: } |
85: constexpr auto operator-(ArrayRefIter other) const noexcept { return it_ - other.it_; } |
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algo.h: 568 - 573 |
-------------------------------------------------------------------------------- |
568: while (__len > 0) |
569: { |
570: _DistanceType __half = __len >> 1; |
571: _ForwardIterator __middle = __first; |
572: std::advance(__middle, __half); |
573: if (__pred(*__middle)) |
/home/eoseret/gromacs-2024.2/api/legacy/include/gromacs/utility/range.h: 84 - 114 |
-------------------------------------------------------------------------------- |
84: bool operator!=(const iterator other) { return value_ != other.value_; } |
85: //! Increment operator |
86: iterator& operator++() |
87: { |
88: ++value_; |
[...] |
112: iterator begin() const { return begin_; } |
113: //! End iterator/value |
114: iterator end() const { return end_; } |
0x6ac5a0 PUSH %RBP |
0x6ac5a1 MOV %RSP,%RBP |
0x6ac5a4 PUSH %R15 |
0x6ac5a6 PUSH %R14 |
0x6ac5a8 PUSH %R13 |
0x6ac5aa PUSH %R12 |
0x6ac5ac PUSH %RBX |
0x6ac5ad SUB $0x98,%RSP |
0x6ac5b4 VMOVSS %XMM0,-0x34(%RBP) |
0x6ac5b9 MOV %R9,-0x98(%RBP) |
0x6ac5c0 MOV %R8,-0x80(%RBP) |
0x6ac5c4 MOV %RCX,-0x78(%RBP) |
0x6ac5c8 MOV %RSI,-0xa0(%RBP) |
0x6ac5cf MOV %RDI,%R14 |
0x6ac5d2 MOV 0x58(%RBP),%RBX |
0x6ac5d6 CALL fa9260 <@plt_start@+0x5db0> |
0x6ac5db MOVSXD (%RBX),%R15 |
0x6ac5de MOV 0x4(%RBX),%ECX |
0x6ac5e1 XOR %R12D,%R12D |
0x6ac5e4 MOV %ECX,-0x4c(%RBP) |
0x6ac5e7 CMP %ECX,%R15D |
0x6ac5ea JNE 6ac601 |
0x6ac5ec MOV %R12D,%EAX |
0x6ac5ef ADD $0x98,%RSP |
0x6ac5f6 POP %RBX |
0x6ac5f7 POP %R12 |
0x6ac5f9 POP %R13 |
0x6ac5fb POP %R14 |
0x6ac5fd POP %R15 |
0x6ac5ff POP %RBP |
0x6ac600 RET |
0x6ac601 LEA 0x30(%RBP),%RCX |
0x6ac605 MOVZX (%RAX),%EAX |
0x6ac608 MOV %AL,-0x29(%RBP) |
0x6ac60b MOV (%RCX),%RAX |
0x6ac60e MOV %RAX,-0x70(%RBP) |
0x6ac612 XOR %R13D,%R13D |
0x6ac615 MOV %R14,-0x40(%RBP) |
0x6ac619 JMP 6ac62c |
0x6ac61b NOPL (%RAX,%RAX,1) |
(3317) 0x6ac620 INC %R15 |
(3317) 0x6ac623 MOV %R12D,%R13D |
(3317) 0x6ac626 CMP %R15D,-0x4c(%RBP) |
(3317) 0x6ac62a JE 6ac5ec |
(3317) 0x6ac62c MOV -0xa0(%RBP),%RAX |
(3317) 0x6ac633 MOV (%RAX,%R15,4),%EBX |
(3317) 0x6ac637 MOV %R14,%RDI |
(3317) 0x6ac63a CALL fa9270 <@plt_start@+0x5dc0> |
(3317) 0x6ac63f SUB %RAX,%RDX |
(3317) 0x6ac642 TEST %RDX,%RDX |
(3317) 0x6ac645 MOV %R13D,-0x30(%RBP) |
(3317) 0x6ac649 MOV %RAX,-0xa8(%RBP) |
(3317) 0x6ac650 JLE 6ac690 |
(3317) 0x6ac652 SHR $0x4,%RDX |
(3317) 0x6ac656 MOV %RAX,%R13 |
(3317) 0x6ac659 MOV %RDX,%RAX |
(3317) 0x6ac65c JMP 6ac668 |
0x6ac65e XCHG %AX,%AX |
(3318) 0x6ac660 MOV %RAX,%RDX |
(3318) 0x6ac663 TEST %RAX,%RAX |
(3318) 0x6ac666 JLE 6ac693 |
(3318) 0x6ac668 SHR $0x1,%RAX |
(3318) 0x6ac66b MOV %RAX,%RCX |
(3318) 0x6ac66e SAL $0x4,%RCX |
(3318) 0x6ac672 CMP %EBX,0x4(%R13,%RCX,1) |
(3318) 0x6ac677 JG 6ac660 |
(3318) 0x6ac679 NOT %RAX |
(3318) 0x6ac67c ADD %RDX,%RAX |
(3318) 0x6ac67f ADD %RCX,%R13 |
(3318) 0x6ac682 ADD $0x10,%R13 |
(3318) 0x6ac686 JMP 6ac660 |
0x6ac688 NOPL (%RAX,%RAX,1) |
(3317) 0x6ac690 MOV %RAX,%R13 |
(3317) 0x6ac693 MOV 0xc(%R13),%ESI |
(3317) 0x6ac697 MOV (%R13),%ECX |
(3317) 0x6ac69b MOV 0x8(%R13),%EDI |
(3317) 0x6ac69f MOV %EBX,%EAX |
(3317) 0x6ac6a1 SUB %ECX,%EAX |
(3317) 0x6ac6a3 CLTD |
(3317) 0x6ac6a4 IDIV %EDI |
(3317) 0x6ac6a6 MOV %EAX,-0x50(%RBP) |
(3317) 0x6ac6a9 IMUL %EAX,%EDI |
(3317) 0x6ac6ac ADD %ECX,%EDI |
(3317) 0x6ac6ae MOV %EBX,%EAX |
(3317) 0x6ac6b0 SUB %EDI,%EAX |
(3317) 0x6ac6b2 MOV %R15,-0x48(%RBP) |
(3317) 0x6ac6b6 MOV %R15D,-0x68(%RBP) |
(3317) 0x6ac6ba MOV %EBX,-0x64(%RBP) |
(3317) 0x6ac6bd MOV %EAX,-0x60(%RBP) |
(3317) 0x6ac6c0 MOV %R14,%RDI |
(3317) 0x6ac6c3 MOV %ESI,-0x54(%RBP) |
(3317) 0x6ac6c6 CALL fa9280 <@plt_start@+0x5dd0> |
(3317) 0x6ac6cb MOV %RAX,%R15 |
(3317) 0x6ac6ce MOVZX -0x29(%RBP),%EAX |
(3317) 0x6ac6d2 MOVZX 0x20(%RBP),%R10D |
(3317) 0x6ac6d7 MOVZX 0x10(%RBP),%R8D |
(3317) 0x6ac6dc LEA -0x68(%RBP),%RDI |
(3317) 0x6ac6e0 MOV %R15,%RSI |
(3317) 0x6ac6e3 MOV -0x78(%RBP),%RDX |
(3317) 0x6ac6e7 MOV -0x80(%RBP),%RCX |
(3317) 0x6ac6eb MOV %R8D,-0x58(%RBP) |
(3317) 0x6ac6ef MOV 0x18(%RBP),%R9 |
(3317) 0x6ac6f3 VMOVSS -0x34(%RBP),%XMM0 |
(3317) 0x6ac6f8 MOV %RAX,-0xb0(%RBP) |
(3317) 0x6ac6ff PUSH %RAX |
(3317) 0x6ac700 MOV 0x50(%RBP),%R14D |
(3317) 0x6ac704 PUSH %R14 |
(3317) 0x6ac706 PUSHQ 0x48(%RBP) |
(3317) 0x6ac709 PUSHQ -0x70(%RBP) |
(3317) 0x6ac70c PUSHQ 0x28(%RBP) |
(3317) 0x6ac70f MOV %R10,-0xb8(%RBP) |
(3317) 0x6ac716 PUSH %R10 |
(3317) 0x6ac718 CALL 6ae9c0 <_ZL25assignInteractionsForAtomILb0EEiRK12AtomIndexSetRK15reverse_ilist_tRK11gmx_ga2la_tRK18gmx_domdec_zones_tbPKibfPK5t_pbcN3gmx8ArrayRefIKNSH_11BasicVectorIfEEEEP22InteractionDefinitionsiNSH_16DDBondedCheckingE> |
(3317) 0x6ac71d ADD $0x30,%RSP |
(3317) 0x6ac721 MOV %EAX,%R12D |
(3317) 0x6ac724 ADD -0x30(%RBP),%R12D |
(3317) 0x6ac728 TEST %R14D,%R14D |
(3317) 0x6ac72b JNE 6ac7a0 |
(3317) 0x6ac72d MOV -0x54(%RBP),%R14D |
(3317) 0x6ac731 MOV -0x40(%RBP),%RDI |
(3317) 0x6ac735 CALL fa9290 <@plt_start@+0x5de0> |
(3317) 0x6ac73a TEST %AL,%AL |
(3317) 0x6ac73c JE 6ac7a0 |
(3317) 0x6ac73e SUB -0xa8(%RBP),%R13 |
(3317) 0x6ac745 MOV 0x30(%R15),%EAX |
(3317) 0x6ac749 MOV %EAX,-0x30(%RBP) |
(3317) 0x6ac74c MOV -0x40(%RBP),%R15 |
(3317) 0x6ac750 MOV %R15,%RDI |
(3317) 0x6ac753 MOV %R14D,%ESI |
(3317) 0x6ac756 CALL fa9280 <@plt_start@+0x5dd0> |
(3317) 0x6ac75b SHR $0x4,%R13 |
(3317) 0x6ac75f MOVSXD %R13D,%RCX |
(3317) 0x6ac762 IMUL $0x38,%RCX,%R8 |
(3317) 0x6ac766 MOV -0x98(%RBP),%RCX |
(3317) 0x6ac76d ADD (%RCX),%R8 |
(3317) 0x6ac770 SUB $0x8,%RSP |
(3317) 0x6ac774 LEA -0x68(%RBP),%RDI |
(3317) 0x6ac778 MOV -0x50(%RBP),%ESI |
(3317) 0x6ac77b MOV -0x30(%RBP),%EDX |
(3317) 0x6ac77e MOV %RAX,%RCX |
(3317) 0x6ac781 MOV 0x40(%RBP),%R9 |
(3317) 0x6ac785 PUSHQ 0x48(%RBP) |
(3317) 0x6ac788 CALL 6ade70 <_ZL31assignPositionRestraintsForAtomRK12AtomIndexSetiiRK15reverse_ilist_tRK14gmx_molblock_tPK9t_iparamsP22InteractionDefinitions> |
(3317) 0x6ac78d ADD $0x10,%RSP |
(3317) 0x6ac791 ADD %EAX,%R12D |
(3317) 0x6ac794 MOV %R15,%R14 |
(3317) 0x6ac797 JMP 6ac7a4 |
0x6ac799 NOPL (%RAX) |
(3317) 0x6ac7a0 MOV -0x40(%RBP),%R14 |
(3317) 0x6ac7a4 MOV -0x48(%RBP),%R15 |
(3317) 0x6ac7a8 MOV %R14,%RDI |
(3317) 0x6ac7ab CALL fa92a0 <@plt_start@+0x5df0> |
(3317) 0x6ac7b0 TEST %AL,%AL |
(3317) 0x6ac7b2 JE 6ac620 |
(3317) 0x6ac7b8 MOV %R15D,-0x90(%RBP) |
(3317) 0x6ac7bf MOV %EBX,-0x8c(%RBP) |
(3317) 0x6ac7c5 MOV %EBX,-0x88(%RBP) |
(3317) 0x6ac7cb MOV %R14,%RDI |
(3317) 0x6ac7ce CALL fa92b0 <@plt_start@+0x5e00> |
(3317) 0x6ac7d3 LEA -0x90(%RBP),%RDI |
(3317) 0x6ac7da MOV %RAX,%RSI |
(3317) 0x6ac7dd MOV -0x78(%RBP),%RDX |
(3317) 0x6ac7e1 MOV -0x80(%RBP),%RCX |
(3317) 0x6ac7e5 MOV -0x58(%RBP),%R8D |
(3317) 0x6ac7e9 MOV 0x18(%RBP),%R9 |
(3317) 0x6ac7ed VMOVSS -0x34(%RBP),%XMM0 |
(3317) 0x6ac7f2 PUSHQ -0xb0(%RBP) |
(3317) 0x6ac7f8 MOV 0x50(%RBP),%EAX |
(3317) 0x6ac7fb PUSH %RAX |
(3317) 0x6ac7fc PUSHQ 0x48(%RBP) |
(3317) 0x6ac7ff PUSHQ -0x70(%RBP) |
(3317) 0x6ac802 PUSHQ 0x28(%RBP) |
(3317) 0x6ac805 PUSHQ -0xb8(%RBP) |
(3317) 0x6ac80b CALL 6ae9c0 <_ZL25assignInteractionsForAtomILb0EEiRK12AtomIndexSetRK15reverse_ilist_tRK11gmx_ga2la_tRK18gmx_domdec_zones_tbPKibfPK5t_pbcN3gmx8ArrayRefIKNSH_11BasicVectorIfEEEEP22InteractionDefinitionsiNSH_16DDBondedCheckingE> |
(3317) 0x6ac810 ADD $0x30,%RSP |
(3317) 0x6ac814 ADD %EAX,%R12D |
(3317) 0x6ac817 JMP 6ac620 |
0x6ac81c NOPL (%RAX) |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►96.87+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.13+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp: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 |
---|---|---|---|
►100.00+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►65.63+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►18.75+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►15.63+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►84.62+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►9.62+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►3.85+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►1.92+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp: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 |
---|---|---|---|
►78.00+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►18.00+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►4.00+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►94.64+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►3.57+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp: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 | |
►1.79+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►84.69+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►7.14+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
►4.08+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►3.06+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
►1.02+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp: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 |
---|---|---|---|
►99.08+ | .omp_outlined.#0x6ad440 | iterator_interface.hpp:305 | libgromacs_mpi.so.9.0.0 |
○ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | dd_make_local_top(gmx_domdec_t[...] | localtopology.cpp:846 | libgromacs_mpi.so.9.0.0 |
○ | gmx::dd_partition_system(_IO_F[...] | partition.cpp:3199 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1001 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 |
Path / |
The code analyzed by CQA in that panel excludes loops and represents 0.00% of application time for run 1x1
Source file and lines | localtopology.cpp:104-716 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 44 |
nb uops | 40 |
loop length | 149 |
used x86 registers | 13 |
used mmx registers | 0 |
used xmm registers | 1 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 11 |
micro-operation queue | 6.67 cycles |
front end | 6.67 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 | 2.00 | 5.00 | 5.00 | 5.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.50 | 0.50 |
cycles | 2.00 | 2.00 | 2.00 | 2.00 | 2.00 | 5.00 | 5.00 | 5.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.50 | 0.50 |
Cycles executing div or sqrt instructions | NA |
Front-end | 6.67 |
Dispatch | 5.00 |
Overall L1 | 6.67 |
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 | NA (no load vectorizable/vectorized instructions) |
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) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
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) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 10% |
load | 12% |
store | 11% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 7% |
all | 6% |
load | NA (no load vectorizable/vectorized instructions) |
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) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
all | 10% |
load | 12% |
store | 10% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 7% |
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 | N/A |
PUSH %R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
SUB $0x98,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
VMOVSS %XMM0,-0x34(%RBP) | 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%) |
MOV %R9,-0x98(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %R8,-0x80(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RCX,-0x78(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RSI,-0xa0(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RDI,%R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV 0x58(%RBP),%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
CALL fa9260 <@plt_start@+0x5db0> | 2 | 0.50 | 0 | 0 | 0 | 0.50 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
MOVSXD (%RBX),%R15 | 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 0x4(%RBX),%ECX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
XOR %R12D,%R12D | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | scal (6.3%) |
MOV %ECX,-0x4c(%RBP) | 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 %ECX,%R15D | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
JNE 6ac601 <_ZL17make_bondeds_zoneILb0EEiRK17gmx_reverse_top_tN3gmx8ArrayRefIKiEERK11gmx_ga2la_tRK18gmx_domdec_zones_tRKSt6vectorI14gmx_molblock_tSaISE_EEbPS5_bfPK5t_pbcNS4_IKNS3_11BasicVectorIfEEEEPK9t_iparamsP22InteractionDefinitionsiRKNS3_5RangeIiEE+0x61> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
MOV %R12D,%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
ADD $0x98,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
POP %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | 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 |
LEA 0x30(%RBP),%RCX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOVZX (%RAX),%EAX | 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 %AL,-0x29(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | N/A |
MOV (%RCX),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
MOV %RAX,-0x70(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
XOR %R13D,%R13D | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | scal (6.3%) |
MOV %R14,-0x40(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
JMP 6ac62c <_ZL17make_bondeds_zoneILb0EEiRK17gmx_reverse_top_tN3gmx8ArrayRefIKiEERK11gmx_ga2la_tRK18gmx_domdec_zones_tRKSt6vectorI14gmx_molblock_tSaISE_EEbPS5_bfPK5t_pbcNS4_IKNS3_11BasicVectorIfEEEEPK9t_iparamsP22InteractionDefinitionsiRKNS3_5RangeIiEE+0x8c> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
NOPL (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
XCHG %AX,%AX | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 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 0.00% of application time for run 1x1
Source file and lines | localtopology.cpp:104-716 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 44 |
nb uops | 40 |
loop length | 149 |
used x86 registers | 13 |
used mmx registers | 0 |
used xmm registers | 1 |
used ymm registers | 0 |
used zmm registers | 0 |
nb stack references | 11 |
micro-operation queue | 6.67 cycles |
front end | 6.67 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 | 2.00 | 5.00 | 5.00 | 5.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.50 | 0.50 |
cycles | 2.00 | 2.00 | 2.00 | 2.00 | 2.00 | 5.00 | 5.00 | 5.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.50 | 0.50 |
Cycles executing div or sqrt instructions | NA |
Front-end | 6.67 |
Dispatch | 5.00 |
Overall L1 | 6.67 |
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 | NA (no load vectorizable/vectorized instructions) |
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) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
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) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 0% |
all | 10% |
load | 12% |
store | 11% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
other | 7% |
all | 6% |
load | NA (no load vectorizable/vectorized instructions) |
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) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | NA (no other vectorizable/vectorized instructions) |
all | 10% |
load | 12% |
store | 10% |
mul | NA (no mul vectorizable/vectorized instructions) |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | NA (no fma vectorizable/vectorized instructions) |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 7% |
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 | N/A |
PUSH %R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
PUSH %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | N/A |
SUB $0x98,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
VMOVSS %XMM0,-0x34(%RBP) | 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%) |
MOV %R9,-0x98(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %R8,-0x80(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RCX,-0x78(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RSI,-0xa0(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
MOV %RDI,%R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | scal (12.5%) |
MOV 0x58(%RBP),%RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
CALL fa9260 <@plt_start@+0x5db0> | 2 | 0.50 | 0 | 0 | 0 | 0.50 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | N/A |
MOVSXD (%RBX),%R15 | 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 0x4(%RBX),%ECX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
XOR %R12D,%R12D | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | scal (6.3%) |
MOV %ECX,-0x4c(%RBP) | 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 %ECX,%R15D | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | scal (6.3%) |
JNE 6ac601 <_ZL17make_bondeds_zoneILb0EEiRK17gmx_reverse_top_tN3gmx8ArrayRefIKiEERK11gmx_ga2la_tRK18gmx_domdec_zones_tRKSt6vectorI14gmx_molblock_tSaISE_EEbPS5_bfPK5t_pbcNS4_IKNS3_11BasicVectorIfEEEEPK9t_iparamsP22InteractionDefinitionsiRKNS3_5RangeIiEE+0x61> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
MOV %R12D,%EAX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | N/A |
ADD $0x98,%RSP | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
POP %RBX | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R12 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R13 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R14 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | N/A |
POP %R15 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.33 | 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 |
LEA 0x30(%RBP),%RCX | 1 | 0.25 | 0.25 | 0.25 | 0.25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.25 | N/A |
MOVZX (%RAX),%EAX | 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 %AL,-0x29(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | N/A |
MOV (%RCX),%RAX | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
MOV %RAX,-0x70(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
XOR %R13D,%R13D | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.25 | scal (6.3%) |
MOV %R14,-0x40(%RBP) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0.50 | scal (12.5%) |
JMP 6ac62c <_ZL17make_bondeds_zoneILb0EEiRK17gmx_reverse_top_tN3gmx8ArrayRefIKiEERK11gmx_ga2la_tRK18gmx_domdec_zones_tRKSt6vectorI14gmx_molblock_tSaISE_EEbPS5_bfPK5t_pbcNS4_IKNS3_11BasicVectorIfEEEEPK9t_iparamsP22InteractionDefinitionsiRKNS3_5RangeIiEE+0x8c> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | N/A |
NOPL (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
XCHG %AX,%AX | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX,%RAX,1) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | N/A |
NOPL (%RAX) | 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 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | ||||||
2x1 | 2 | 1 | 1 | 2 | 0.094999998807907 | 0.017649726942182 |
4x1 | 4 | 1 | 1 | 4 | 0.064999997615814 | 0.018576383590698 |
8x1 | 8 | 1 | 1 | 8 | 0.059999998658895 | 0.025862205773592 |
16x1 | 15 | 1 | 1 | 16 | 0.03999999910593 | 0.019735986366868 |
32x1 | 19 | 1 | 1 | 32 | 0.019999999552965 | 0.01521907094866 |
64x1 | 34 | 1 | 1 | 64 | 0.015000000596046 | 0.011045495979488 |
128x1 | 57 | 1 | 1 | 128 | 0.024999998509884 | 0.022848695516586 |
192x1 | 66 | 1 | 1 | 192 | 0.025000000372529 | 0.021287564188242 |
Name | Coverage (%) | Time (s) |
---|---|---|
▼int make_bondeds_zone | 0.02 | 0.00 |
▼Loop 3317 - localtopology.cpp:104-701 - libgromacs_mpi.so.9.0.0– | 0.02 | 0.01 |
○Loop 3318 - stl_algo.h:568-573 - libgromacs_mpi.so.9.0.0 | 0.00 | 0.01 |