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exec - 2024-01-23 21:48:08 - MAQAO 2.19.0

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Global Metrics

Total Time (s)125.96
Profiled Time (s)123.47
GFLOPS80.584
Time in analyzed loops (%)46.4
Time in analyzed innermost loops (%)38.5
Time in user code (%)50.6
Compilation Options Score (%)100
Array Access Efficiency (%)75.1
Potential Speedups
Iterations Count1.00
Perfect Flow Complexity1.00
Perfect OpenMP + MPI + Pthread1.07
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.08
No Scalar IntegerPotential Speedup1.11
Nb Loops to get 80%18
FP VectorisedPotential Speedup1.13
Nb Loops to get 80%25
Fully VectorisedPotential Speedup1.58
Nb Loops to get 80%41
Data In L1 CachePotential Speedup1.01
Nb Loops to get 80%1
FP Arithmetic OnlyPotential Speedup1.27
Nb Loops to get 80%37

CQA Potential Speedups Summary

Loop Based Profile⏎

Innermost Loop Based Profile⏎

Application Categorization⏎

Compilation Options⏎

Source ObjectIssue
▼exec–
○optwf_sr_more.f90
○hpsi.f90
○matinv.f90
○distances.f90
○jastrow4e.f90
○optci.f90
○gammai.f90
○jastrowe.f90
○multideterminant.f90
○metrop_mov1_slat.f90
○determinant_psit.f90
○hpsie.f90
○deriv_nonlpsi.f90
○get_norbterm.f90
○scale_dist.f90
○basis_fns.f90
○xoroshiro256starstar.c
○nonloc.f90
○detsav.f90
○determinante.f90
○multiply_slmi_mderiv.f90
○splfit.f90
○deriv_nonloc.f90
○jastrow4.f90
○optorb.f90
○determinant.f90
○optwf_sr.f90
○deriv_jastrow4.f90
○multideterminante.f90
○set_input_data.f90
○readps_gauss.f90
○bxmatrices.f90
○optjas.f90
○determinante_psit.f90
○nonlpsi.f90
○orbitals.f90
○slm.f90
○jassav.f90

Loop Iteration Count Profile⏎

Loop Path Count Profile⏎

Cumulated Speedup If No Scalar Integer⏎

Cumulated Speedup If FP Vectorized⏎

Cumulated Speedup If Fully Vectorized⏎

Cumulated Speedup If Data In L1⏎

Cumulated Speedup If FP Arithmetic Only⏎

Experiment Summary

Application/home/kcamus/qaas/qaas_runs/170-603-0143/uvsq/champ/run/binaries/icc_3/exec
Timestamp2024-01-23 21:48:08 Universal Timestamp1706042888
Number of processes observed52 Number of threads observed52
Experiment TypeMPI; OpenMP;
Machineskylake
Model NameIntel(R) Xeon(R) Platinum 8170 CPU @ 2.10GHz
Architecturex86_64 Micro ArchitectureSKYLAKE
Cache Size36608 KB Number of Cores26
OS VersionLinux 6.5.7-arch1-1 #1 SMP PREEMPT_DYNAMIC Tue, 10 Oct 2023 21:10:21 +0000
Architecture used during static analysisx86_64 Micro Architecture used during static analysisSKYLAKE
Frequency Driverintel_cpufreq Frequency Governorperformance
Huge Pagesalways Hyperthreadingoff
Number of sockets2 Number of cores per socket26
Compilation Optionsexec: 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/qaas/qaas_runs/170-603-0143/uvsq/champ/build/champ/src/vmc -I/home/kcamus/qaas/qaas_runs/170-603-0143/uvsq/champ/build/icc_3/src/module -I/home/kcamus/qaas/qaas_runs/170-603-0143/uvsq/champ/build/icc_3/src/parser -I/opt/intel/oneapi.old/mpi/2021.8.0//include -I/opt/intel/oneapi.old/mpi/2021.8.0/include -DTARGET_ARCHITECTURE=\"avx512\" -DVECTORIZATION=\"avx512\" -O3 -xCORE-AVX2 -g -fno-omit-frame-pointer -no-pie -module src/vmc -fPIC -implicitnone -finline -ip -align array64byte -fma -ftz -fomit-frame-pointer -fpp -mcmodel=small -shared-intel -dyncom=grid3d_data,orbital_num_spl,orbital_num_lag,orbital_num_spl2,grid3d_data -D_MPI_ -DCLUSTER -xCORE-AVX2 -g -fno-omit-frame-pointer -no-pie -c -o src/vmc/CMakeFiles/shared_objects.dir/multideterminant.f90.o

Configuration Summary

Dataset
Run Command<executable> -i vmc_optimization_15000.inp
MPI Commandmpirun -np 52
Number Processes1
Number Nodes1
Filter{type = number ; value = 1 ; }
Profile Start{unit = none ; value = 0 ; }
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