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- r0: ../champ/tests/CI_test/VMC-C4H6-ci1010_pVTZ-15000-dets/test_ov1_o3/
- r1: /home/kcamus/Trex/champ/champ_july2023/champ/tests/CI_test/VMC-C4H6-ci1010_pVTZ-15000-dets/champ_ifort_ov1_o3_o1m1_15kfull/
Metric | r0 | r1 |
---|
Total Time (s) | 62.96 | 66.62 |
Profiled Time (s) | 61.79 | 65.59 |
GFLOPS | 0.0 | Not Implemented Yet |
Time in analyzed loops (%) | 73.6 | 74.3 |
Time in analyzed innermost loops (%) | 57.6 | 58.4 |
Time in user code (%) | 78.9 | 79.0 |
Compilation Options Score (%) | 100 | 100 |
Array Access Efficiency (%) | 72.4 | 72.0 |
|
Potential Speedups |
Perfect Flow Complexity | 1.00 | 1.00 |
Perfect OpenMP + MPI + Pthread | 1.00 | 1.00 |
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution | 1.00 | 1.00 |
No Scalar Integer | Potential Speedup | 1.18 | 1.19 |
Nb Loops to get 80% | 18 | 19 |
FP Vectorised | Potential Speedup | 1.23 | 1.23 |
Nb Loops to get 80% | 26 | 25 |
Fully Vectorised | Potential Speedup | 2.45 | 2.47 |
Nb Loops to get 80% | 41 | 41 |
Only FP Arithmetic | Potential Speedup | 1.50 | 1.56 |
Nb Loops to get 80% | 39 | 38 |
Source Object | Issue |
▼vmc.mov1– | |
▼nonloc.f– | |
○ | |
▼jassav.f– | |
○ | |
▼matinv.f90– | |
○ | |
▼optorb.f– | |
○ | |
▼optjas.f– | |
○ | |
▼determinant_psit.f– | |
○ | |
▼orbitals.f– | |
○ | |
▼optwf_sr_more.f– | |
○ | |
▼deriv_nonlpsi.f– | |
○ | |
▼gammai.f– | |
○ | |
▼hpsie.f– | |
○ | |
▼splfit.f– | |
○ | |
▼get_norbterm.f90– | |
○ | |
▼distances.f– | |
○ | |
▼optwf_sr.f90– | |
○ | |
▼jastrow4e.f– | |
○ | |
▼optci.f– | |
○ | |
▼multideterminante.f– | |
○ | |
▼multiply_slmi_mderiv.f– | |
○ | |
▼readps_gauss.f– | |
○ | |
▼deriv_nonloc.f– | |
○ | |
▼determinante.f– | |
○ | |
▼metrop_mov1_slat.f– | |
○ | |
▼jastrowe.f– | |
○ | |
▼pot_local.f– | |
○ | |
▼determinant.f– | |
○ | |
▼acuest.f– | |
○ | |
▼hpsi.f– | |
○ | |
▼scale_dist.f– | |
○ | |
▼detsav.f– | |
○ | |
▼deriv_jastrow4.f90– | |
○ | |
▼jastrow4.f– | |
○ | |
▼set_input_data.f90– | |
○ | |
▼slm.f90– | |
○ | |
▼rotqua.f– | |
○ | |
▼basis_fns.f– | |
○ | |
▼nonlpsi.f– | |
○ | |
▼determinante_psit.f– | |
○ | |
▼bxmatrices.f– | |
○ | |
▼optx_jas_ci.f– | |
○ | |
▼multideterminant.f– | |
○ | |
Source Object | Issue |
▼vmc.mov1– | |
▼nonloc.f– | |
○ | |
▼jassav.f– | |
○ | |
▼matinv.f90– | |
○ | |
▼optorb.f– | |
○ | |
▼optjas.f– | |
○ | |
▼determinant_psit.f– | |
○ | |
▼orbitals.f– | |
○ | |
▼optwf_sr_more.f– | |
○ | |
▼scale_dist.f– | |
○ | |
▼gammai.f– | |
○ | |
▼hpsie.f– | |
○ | |
▼splfit.f– | |
○ | |
▼get_norbterm.f90– | |
○ | |
▼distances.f– | |
○ | |
▼optwf_sr.f90– | |
○ | |
▼jastrow4e.f– | |
○ | |
▼optci.f– | |
○ | |
▼multideterminante.f– | |
○ | |
▼multiply_slmi_mderiv.f– | |
○ | |
▼deriv_nonloc.f– | |
○ | |
▼readps_gauss.f– | |
○ | |
▼deriv_nonlpsi.f– | |
○ | |
▼bxmatrices.f– | |
○ | |
▼jastrowe.f– | |
○ | |
▼nonlpsi.f– | |
○ | |
▼hpsi.f– | |
○ | |
▼metrop_mov1_slat.f– | |
○ | |
▼basis_fns.f– | |
○ | |
▼deriv_jastrow4.f90– | |
○ | |
▼jastrow4.f– | |
○ | |
▼set_input_data.f90– | |
○ | |
▼pot_local.f– | |
○ | |
▼vmc.f– | |
○ | |
▼determinante.f– | |
○ | |
▼detsav.f– | |
○ | |
▼determinante_psit.f– | |
○ | |
▼determinant.f– | |
○ | |
▼slm.f90– | |
○ | |
▼multideterminant.f– | |
○ | |
| r0 | r1 |
Application | ../../../bin/vmc.mov1 | ./../../../bin/vmc.mov1 |
Timestamp | 2023-08-31 18:12:52 | 2023-07-03 16:33:01 |
Experiment Type | Sequential | MPI; |
Machine | skylake | same as r0 |
Architecture | x86_64 | same as r0 |
Micro Architecture | SKYLAKE | same as r0 |
Model Name | Intel(R) Xeon(R) Platinum 8170 CPU @ 2.10GHz | same as r0 |
Cache Size | 36608 KB | same as r0 |
Number of Cores | 26 | same as r0 |
Maximal Frequency | 2.1 GHz | same as r0 |
OS Version | Linux 6.4.1-arch2-1 #1 SMP PREEMPT_DYNAMIC Tue, 04 Jul 2023 08:39:40 +0000 | Linux 6.2.12-arch1-1 #1 SMP PREEMPT_DYNAMIC Thu, 20 Apr 2023 16:11:55 +0000 |
Architecture used during static analysis | x86_64 | same as r0 |
Micro Architecture used during static analysis | SKYLAKE | same as r0 |
Compilation Options |
vmc.mov1: Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.7.0 Build 20220726_000000 -I/home/kcamus/comparative/champ/champ/buildO3/src/module -I/home/kcamus/comparative/champ/champ/buildO3/src/parser -I/home/kcamus/intel/oneapi/mpi/2021.7.0//include -I/home/kcamus/intel/oneapi/mpi/2021.7.0/include -DTARGET_ARCHITECTURE=\"avx512\" -DVECTORIZATION=\"avx512\" -xCORE-AVX512 -O3 -fPIC -implicitnone -finline -ip -align array64byte -fma -ftz -fno-omit-frame-pointer -g -no-pie -fpp -mcmodel=small -shared-intel -dyncom=grid3d_data,orbital_num_spl,orbital_num_lag,orbital_num_spl2,grid3d_data -D_MPI_ -DCLUSTER -fixed -132 -c -o CMakeFiles/shared_objects.dir/multideterminant.f.o | vmc.mov1: Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.8.0 Build 20221119_000000 -I/home/kcamus/Trex/champ/champ_july2023/champ/buildifort/src/module -I/home/kcamus/Trex/champ/champ_july2023/champ/buildifort/src/parser -I/opt/intel/oneapi/mpi/2021.8.0//include -I/opt/intel/oneapi/mpi/2021.8.0/include -DTARGET_ARCHITECTURE=\"avx512\" -DVECTORIZATION=\"avx512\" -xCORE-AVX512 -O3 -fPIC -implicitnone -finline -ip -align array64byte -fma -ftz -fno-omit-frame-pointer -g -fpp -mcmodel=small -shared-intel -dyncom=grid3d_data,orbital_num_spl,orbital_num_lag,orbital_num_spl2,grid3d_data -D_MPI_ -DCLUSTER -fixed -132 -c -o CMakeFiles/shared_objects.dir/multideterminant.f.o |
Number of processes observed | 1 | same as r0 |
Number of threads observed | 1 | same as r0 |
Frequency Driver | intel_cpufreq | same as r0 |
Frequency Governor | schedutil | same as r0 |
Huge Pages | always | same as r0 |
Hyperthreading | off | same as r0 |
Number of sockets | 2 | same as r0 |
Number of cores per socket | 26 | same as r0 |
MAQAO version | 2.17.8 | 2.17.4 |
MAQAO build | 0639d6ed13e6e77a0ec82d15a3f0912eac9390b5::20230829-171632 | c4bfa955d5e47d9b8b38aac6a834dea51884fbad::20230627-084729-0700 |
Comments | - | - |