Loop Id: 15002 | Module: libgromacs_mpi.so.9.0.0 | Source: md_support.cpp:181-209 [...] | Coverage: 0.04% |
---|
Loop Id: 15002 | Module: libgromacs_mpi.so.9.0.0 | Source: md_support.cpp:181-209 [...] | Coverage: 0.04% |
---|
0xb08720 MOVZX (%RSI,%RDX,2),%R8D [4] |
0xb08725 VMULSS (%RAX,%RDX,4),%XMM8,%XMM0 [2] |
0xb0872a MOV (%R11),%R9 [3] |
0xb0872d VMOVSD -0x8(%R9,%RDI,2),%XMM1 [1] |
0xb08734 VMOVSS (%R9,%RDI,2),%XMM2 [1] |
0xb0873a LEA (%R8,%R8,8),%R8 |
0xb0873e VBROADCASTSS %XMM0,%XMM3 |
0xb08743 VMULPS %XMM1,%XMM3,%XMM3 |
0xb08747 VMULSS %XMM2,%XMM0,%XMM0 |
0xb0874b VBROADCASTSS %XMM0,%YMM4 |
0xb08750 VPERMT2PS %YMM4,%YMM11,%YMM3 |
0xb08756 VPERMT2PS %YMM2,%YMM10,%YMM1 |
0xb0875c VFMADD213PS (%R15,%R8,4),%YMM3,%YMM1 [5] |
0xb08762 VMOVUPS %YMM1,(%R15,%R8,4) [5] |
0xb08768 VFMADD213SS 0x20(%R15,%R8,4),%XMM0,%XMM2 [5] |
0xb0876f VMOVSS %XMM2,0x20(%R15,%R8,4) [5] |
0xb08776 INC %RDX |
0xb08779 ADD $0x6,%RDI |
0xb0877d CMP %RDX,%RCX |
0xb08780 JNE b08720 |
/home/eoseret/gromacs-2024.2/src/gromacs/mdlib/md_support.cpp: 181 - 209 |
-------------------------------------------------------------------------------- |
181: for (n = start_t; n < end_t; n++) |
182: { |
183: if (!md->cTC.empty()) |
184: { |
185: gt = md->cTC[n]; |
186: } |
187: hm = 0.5 * md->massT[n]; |
188: |
189: gmx::RVec vn = v[n]; |
[...] |
209: ekin_sum[gt][m][d] += hm * vn[m] * vn[d]; |
/home/eoseret/gromacs-2024.2/src/external/boost/stl_interfaces/iterator_interface.hpp: 305 - 305 |
-------------------------------------------------------------------------------- |
305: D retval = derived(); |
Coverage (%) | Name | Source Location | Module |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
---|---|---|---|
►78.57+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►11.54+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
►9.89+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
---|---|---|---|
►84.44+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►10.56+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
►5.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
---|---|---|---|
►82.39+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | libgromacs_mpi.so.9.0.0 |
○ | gmx::Mdrunner::mdrunner() | runner.cpp:2311 | libgromacs_mpi.so.9.0.0 |
○ | gmx::gmx_mdrun(int, gmx_hw_inf[...] | mdrun.cpp:280 | gmx_mpi |
○ | gmx::gmx_mdrun(int, char**) | mdrun.cpp:82 | gmx_mpi |
○ | gmx::CommandLineModuleManager:[...] | cmdlinemodulemanager.cpp:569 | libgromacs_mpi.so.9.0.0 |
○ | main | gmx.cpp:58 | gmx_mpi |
○ | __libc_start_call_main | libc.so.6 | |
►13.07+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
►4.55+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
---|---|---|---|
►98.05+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►1.95+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
---|---|---|---|
►82.82+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | |
►8.81+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
►7.49+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 |
---|---|---|---|
►100.00+ | __kmp_invoke_microtask | libomp.so | |
○ | __kmp_fork_call | libomp.so | |
○ | __kmpc_fork_call | libomp.so | |
○ | compute_globals(gmx_global_sta[...] | md_support.cpp:147 | libgromacs_mpi.so.9.0.0 |
○ | gmx::LegacySimulator::do_md() | md.cpp:1778 | 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 | 1.06 |
CQA speedup if FP arith vectorized | 1.29 |
CQA speedup if fully vectorized | 2.20 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.06 |
Bottlenecks | micro-operation queue, |
Function | .omp_outlined..4 |
Source | md_support.cpp:181-189,md_support.cpp:209-209,iterator_interface.hpp:305-305 |
Source loop unroll info | unrolled by 2 |
Source loop unroll confidence level | high |
Unroll/vectorization loop type | peel/tail |
Unroll factor | 1 |
CQA cycles | 3.17 |
CQA cycles if no scalar integer | 3.00 |
CQA cycles if FP arith vectorized | 2.46 |
CQA cycles if fully vectorized | 1.44 |
Front-end cycles | 3.17 |
P0 cycles | 1.25 |
P1 cycles | 1.25 |
P2 cycles | 1.00 |
P3 cycles | 1.00 |
P4 cycles | 0.50 |
P5 cycles | 3.00 |
P6 cycles | 3.00 |
P7 cycles | 3.00 |
P8 cycles | 3.00 |
P9 cycles | 3.00 |
P10 cycles | 2.00 |
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 | 20.00 |
Nb uops | 19.00 |
Nb loads | 7.00 |
Nb stores | 2.00 |
Nb stack references | 0.00 |
FLOP/cycle | 7.58 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 6.00 |
Nb FLOP fma | 9.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 30.95 |
Bytes prefetched | 0.00 |
Bytes loaded | 62.00 |
Bytes stored | 36.00 |
Stride 0 | 1.00 |
Stride 1 | 2.00 |
Stride n | 1.00 |
Stride unknown | 1.00 |
Stride indirect | 0.00 |
Vectorization ratio all | 38.46 |
Vectorization ratio load | 20.00 |
Vectorization ratio store | 50.00 |
Vectorization ratio mul | 33.33 |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | 50.00 |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 50.00 |
Vector-efficiency ratio all | 21.63 |
Vector-efficiency ratio load | 16.25 |
Vector-efficiency ratio store | 28.13 |
Vector-efficiency ratio mul | 12.50 |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | 28.13 |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 28.13 |
Metric | Value |
---|---|
CQA speedup if no scalar integer | 1.06 |
CQA speedup if FP arith vectorized | 1.29 |
CQA speedup if fully vectorized | 2.20 |
CQA speedup if no inter-iteration dependency | NA |
CQA speedup if next bottleneck killed | 1.06 |
Bottlenecks | micro-operation queue, |
Function | .omp_outlined..4 |
Source | md_support.cpp:181-189,md_support.cpp:209-209,iterator_interface.hpp:305-305 |
Source loop unroll info | unrolled by 2 |
Source loop unroll confidence level | high |
Unroll/vectorization loop type | peel/tail |
Unroll factor | 1 |
CQA cycles | 3.17 |
CQA cycles if no scalar integer | 3.00 |
CQA cycles if FP arith vectorized | 2.46 |
CQA cycles if fully vectorized | 1.44 |
Front-end cycles | 3.17 |
P0 cycles | 1.25 |
P1 cycles | 1.25 |
P2 cycles | 1.00 |
P3 cycles | 1.00 |
P4 cycles | 0.50 |
P5 cycles | 3.00 |
P6 cycles | 3.00 |
P7 cycles | 3.00 |
P8 cycles | 3.00 |
P9 cycles | 3.00 |
P10 cycles | 2.00 |
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 | 20.00 |
Nb uops | 19.00 |
Nb loads | 7.00 |
Nb stores | 2.00 |
Nb stack references | 0.00 |
FLOP/cycle | 7.58 |
Nb FLOP add-sub | 0.00 |
Nb FLOP mul | 6.00 |
Nb FLOP fma | 9.00 |
Nb FLOP div | 0.00 |
Nb FLOP rcp | 0.00 |
Nb FLOP sqrt | 0.00 |
Nb FLOP rsqrt | 0.00 |
Bytes/cycle | 30.95 |
Bytes prefetched | 0.00 |
Bytes loaded | 62.00 |
Bytes stored | 36.00 |
Stride 0 | 1.00 |
Stride 1 | 2.00 |
Stride n | 1.00 |
Stride unknown | 1.00 |
Stride indirect | 0.00 |
Vectorization ratio all | 38.46 |
Vectorization ratio load | 20.00 |
Vectorization ratio store | 50.00 |
Vectorization ratio mul | 33.33 |
Vectorization ratio add_sub | NA |
Vectorization ratio fma | 50.00 |
Vectorization ratio div_sqrt | NA |
Vectorization ratio other | 50.00 |
Vector-efficiency ratio all | 21.63 |
Vector-efficiency ratio load | 16.25 |
Vector-efficiency ratio store | 28.13 |
Vector-efficiency ratio mul | 12.50 |
Vector-efficiency ratio add_sub | NA |
Vector-efficiency ratio fma | 28.13 |
Vector-efficiency ratio div_sqrt | NA |
Vector-efficiency ratio other | 28.13 |
Path / |
Function | .omp_outlined..4 |
Source file and lines | md_support.cpp:181-209 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 20 |
nb uops | 19 |
loop length | 98 |
used x86 registers | 9 |
used mmx registers | 0 |
used xmm registers | 5 |
used ymm registers | 6 |
used zmm registers | 0 |
nb stack references | 0 |
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 | 1.25 | 1.25 | 1.00 | 1.00 | 0.50 | 3.00 | 3.00 | 3.00 | 3.00 | 3.00 | 2.00 | 1.00 | 1.00 | 1.00 |
cycles | 1.25 | 1.25 | 1.00 | 1.00 | 0.50 | 3.00 | 3.00 | 3.00 | 3.00 | 3.00 | 2.00 | 1.00 | 1.00 | 1.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 1.00 |
Front-end | 3.17 |
Dispatch | 3.00 |
Data deps. | 1.00 |
Overall L1 | 3.17 |
all | 38% |
load | 20% |
store | 50% |
mul | 33% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 50% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 50% |
all | 21% |
load | 16% |
store | 28% |
mul | 12% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 28% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 28% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MOVZX (%RSI,%RDX,2),%R8D | 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 |
VMULSS (%RAX,%RDX,4),%XMM8,%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%) |
MOV (%R11),%R9 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
VMOVSD -0x8(%R9,%RDI,2),%XMM1 | 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 (%R9,%RDI,2),%XMM2 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
LEA (%R8,%R8,8),%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 |
VBROADCASTSS %XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 1 | 0.33 | scal (6.3%) |
VMULPS %XMM1,%XMM3,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | vect (25.0%) |
VMULSS %XMM2,%XMM0,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VBROADCASTSS %XMM0,%YMM4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
VPERMT2PS %YMM4,%YMM11,%YMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 4 | 0.50 | vect (50.0%) |
VPERMT2PS %YMM2,%YMM10,%YMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 4 | 0.50 | vect (50.0%) |
VFMADD213PS (%R15,%R8,4),%YMM3,%YMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | vect (50.0%) |
VMOVUPS %YMM1,(%R15,%R8,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VFMADD213SS 0x20(%R15,%R8,4),%XMM0,%XMM2 | 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%) |
VMOVSS %XMM2,0x20(%R15,%R8,4) | 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%) |
INC %RDX | 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 $0x6,%RDI | 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 %RDX,%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 |
JNE b08720 <.omp_outlined..4+0x3b0> | 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..4 |
Source file and lines | md_support.cpp:181-209 |
Module | libgromacs_mpi.so.9.0.0 |
nb instructions | 20 |
nb uops | 19 |
loop length | 98 |
used x86 registers | 9 |
used mmx registers | 0 |
used xmm registers | 5 |
used ymm registers | 6 |
used zmm registers | 0 |
nb stack references | 0 |
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 | 1.25 | 1.25 | 1.00 | 1.00 | 0.50 | 3.00 | 3.00 | 3.00 | 3.00 | 3.00 | 2.00 | 1.00 | 1.00 | 1.00 |
cycles | 1.25 | 1.25 | 1.00 | 1.00 | 0.50 | 3.00 | 3.00 | 3.00 | 3.00 | 3.00 | 2.00 | 1.00 | 1.00 | 1.00 |
Cycles executing div or sqrt instructions | NA |
Longest recurrence chain latency (RecMII) | 1.00 |
Front-end | 3.17 |
Dispatch | 3.00 |
Data deps. | 1.00 |
Overall L1 | 3.17 |
all | 38% |
load | 20% |
store | 50% |
mul | 33% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 50% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 50% |
all | 21% |
load | 16% |
store | 28% |
mul | 12% |
add-sub | NA (no add-sub vectorizable/vectorized instructions) |
fma | 28% |
div/sqrt | NA (no div/sqrt vectorizable/vectorized instructions) |
other | 28% |
Instruction | Nb FU | ALU0/BRU0 | ALU1 | ALU2 | ALU3 | BRU1 | AGU0 | AGU1 | AGU2 | FP0 | FP1 | FP2 | FP3 | FP4 | FP5 | Latency | Recip. throughput | Vectorization |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MOVZX (%RSI,%RDX,2),%R8D | 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 |
VMULSS (%RAX,%RDX,4),%XMM8,%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%) |
MOV (%R11),%R9 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0.33 | N/A |
VMOVSD -0x8(%R9,%RDI,2),%XMM1 | 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 (%R9,%RDI,2),%XMM2 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
LEA (%R8,%R8,8),%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 |
VBROADCASTSS %XMM0,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 1 | 0.33 | scal (6.3%) |
VMULPS %XMM1,%XMM3,%XMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | vect (25.0%) |
VMULSS %XMM2,%XMM0,%XMM0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 3 | 0.50 | scal (6.3%) |
VBROADCASTSS %XMM0,%YMM4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 1 | 0.50 | scal (6.3%) |
VPERMT2PS %YMM4,%YMM11,%YMM3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 4 | 0.50 | vect (50.0%) |
VPERMT2PS %YMM2,%YMM10,%YMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 0 | 0 | 0 | 4 | 0.50 | vect (50.0%) |
VFMADD213PS (%R15,%R8,4),%YMM3,%YMM1 | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0.50 | 0.50 | 0 | 0 | 0 | 0 | 4 | 0.50 | vect (50.0%) |
VMOVUPS %YMM1,(%R15,%R8,4) | 1 | 0 | 0 | 0 | 0 | 0 | 0.33 | 0.33 | 0.33 | 0 | 0 | 0 | 0 | 0.50 | 0.50 | 4 | 1 | vect (50.0%) |
VFMADD213SS 0x20(%R15,%R8,4),%XMM0,%XMM2 | 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%) |
VMOVSS %XMM2,0x20(%R15,%R8,4) | 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%) |
INC %RDX | 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 $0x6,%RDI | 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 %RDX,%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 |
JNE b08720 <.omp_outlined..4+0x3b0> | 1 | 0.50 | 0 | 0 | 0 | 0.50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.50-1 | N/A |
Run 1x1 | Number processes: 1Number processes per node: 1OMP_NUM_THREADS: 1 |
---|---|
Run 2x1 | Number processes: 2Number processes per node: 2OMP_NUM_THREADS: 1 |
Run 4x1 | Number processes: 4Number processes per node: 4OMP_NUM_THREADS: 1 |
Run 8x1 | Number processes: 8Number processes per node: 8OMP_NUM_THREADS: 1 |
Run 16x1 | Number processes: 16Number processes per node: 16OMP_NUM_THREADS: 1 |
Run 32x1 | Number processes: 32Number processes per node: 32OMP_NUM_THREADS: 1 |
Run 64x1 | Number processes: 64Number processes per node: 64OMP_NUM_THREADS: 1 |
Run 128x1 | Number processes: 128Number processes per node: 128OMP_NUM_THREADS: 1 |
Run 192x1 | Number processes: 192Number nodes: 1Number processes per node: 192Run Command: <executable> mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm aoccMPI Command: mpirun -genv I_MPI_FABRICS=shm -n <number_processes>Dataset: Run Directory: .OMP_NUM_THREADS: 1 |
(1x1) Efficiency | (1x1) Potential Speed-Up (%) | (2x1) Efficiency | (2x1) Potential Speed-Up (%) | (4x1) Efficiency | (4x1) Potential Speed-Up (%) | (8x1) Efficiency | (8x1) Potential Speed-Up (%) | (16x1) Efficiency | (16x1) Potential Speed-Up (%) | (32x1) Efficiency | (32x1) Potential Speed-Up (%) | (64x1) Efficiency | (64x1) Potential Speed-Up (%) | (128x1) Efficiency | (128x1) Potential Speed-Up (%) | (192x1) Efficiency | (192x1) Potential Speed-Up (%) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 0 | 1.27 | 0 | 0.95 | 0 | 0.98 | 0 | 0.99 | 0 | 1.02 | -0 | 0.87 | 0.01 | 0.78 | 0.01 | 0.81 | 0.01 |
Run | Number of threads | Efficiency (ideal is 1) | Speedup | Ideal Speedup | Time (s) | Coverage (%) |
---|---|---|---|---|---|---|
1x1 | 1 | 1 | 1 | 1 | 0.89499992132187 | 0.10736503452063 |
2x1 | 2 | 1.27 | 2.54 | 2 | 0.4099999666214 | 0.077768176794052 |
4x1 | 4 | 0.95 | 3.81 | 4 | 0.27500000596046 | 0.094387136399746 |
8x1 | 8 | 0.98 | 7.87 | 8 | 0.13499999046326 | 0.073545783758163 |
16x1 | 16 | 0.99 | 15.84 | 16 | 0.10999999195337 | 0.068317368626595 |
32x1 | 20 | 1.02 | 32.51 | 32 | 0.069999992847443 | 0.053570263087749 |
64x1 | 40 | 0.87 | 55.69 | 64 | 0.10999997705221 | 0.040434580296278 |
128x1 | 72 | 0.78 | 99.5 | 128 | 0.03999999910593 | 0.052924931049347 |
192x1 | 103 | 0.81 | 154.65 | 192 | 0.029999999329448 | 0.042965669184923 |