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qp_run - 2025-11-07 17:30:53 - MAQAO 2025.1.3

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Global Metrics

Total Time (s)1.46 E3
Max (Thread Active Time) (s)1.28 E3
Average Active Time (s)1.23 E3
Activity Ratio (%)87.0
Average number of active threads164.489
Affinity Stability (%)99.5
Time in analyzed loops (%)46.8
Time in analyzed innermost loops (%)20.7
Time in user code (%)82.5
Compilation Options Score (%)68.4
Array Access Efficiency (%)84.3
Potential Speedups
Perfect Flow Complexity1.03
Perfect OpenMP/MPI/Pthread/TBB1.00
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution1.04
No Scalar IntegerPotential Speedup1.26
Nb Loops to get 80%9
FP VectorisedPotential Speedup1.03
Nb Loops to get 80%8
Fully VectorisedPotential Speedup1.59
Nb Loops to get 80%14
FP Arithmetic OnlyPotential Speedup1.41
Nb Loops to get 80%14

CQA Potential Speedups Summary

Average Active Threads Count

Loop Based Profile

Innermost Loop Based Profile

Application Categorization

Compilation Options

Source ObjectIssue
qp_run
-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)
-O2, -O3 or -Ofast is missing.
-march=(target) is missing.
fci
map_module.f90-funroll-loops is missing.
slater_rules.irp.F90-funroll-loops is missing.
map_integrals.irp.F90-funroll-loops is missing.
spindeterminants.irp.F90-funroll-loops is missing.
u0_hs2_u0.irp.F90-funroll-loops is missing.
s2.irp.F90-funroll-loops is missing.
single_excitations.irp.F90-funroll-loops is missing.
determinants.irp.F90-funroll-loops is missing.
qsort.c
-O3 or -Ofast is missing.
-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
-funroll-loops is missing.
selection_buffer.irp.F90-funroll-loops is missing.
diagonalization_hs2_dressed.irp.F90-funroll-loops is missing.
selection.irp.F90-funroll-loops is missing.

Loop Path Count Profile

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If FP Arithmetic Only

Experiment Summary

Application/gpfs/home/kevicamu/POP/QuantumPackage/qp2/ocaml/qp_run
Timestamp2025-11-07 17:30:53 Universal Timestamp1762533053
Number of processes observed1 Number of threads observed195
Experiment TypeOpenMP;
Machineromeo-c023
Model NameAMD EPYC 9654 96-Core Processor
Architecturex86_64 Micro ArchitectureZEN_V4
Cache Size1024 KB Number of Cores96
OS VersionLinux 5.14.0-427.42.1.el9_4.x86_64 #1 SMP PREEMPT_DYNAMIC Fri Oct 18 14:35:40 EDT 2024
Architecture used during static analysisx86_64 Micro Architecture used during static analysisZEN_V4
Frequency Driveracpi-cpufreq Frequency Governorperformance
Huge Pagesalways Hyperthreadingoff
Number of sockets2 Number of cores per socket96
Compilation Optionsfci: GNU Fortran2008 14.2.0 -march=znver4 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -msse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mavx512vbmi -mavx512ifma -mavx512vpopcntdq -mavx512vbmi2 -mgfni -mvpclmulqdq -mavx512vnni -mavx512bitalg -mavx512bf16 -mno-avx512vp2intersect -mno-3dnow -madx -mabm -mno-cldemote -mclflushopt -mclwb -mclzero -mcx16 -mno-enqcmd -mf16c -mfsgsbase -mfxsr -mno-hle -msahf -mno-lwp -mlzcnt -mmovbe -mno-movdir64b -mno-movdiri -mmwaitx -mno-pconfig -mpku -mprfchw -mno-ptwrite -mrdpid -mrdrnd -mrdseed -mno-rtm -mno-serialize -mno-sgx -msha -mshstk -mno-tbm -mno-tsxldtrk -mvaes -mno-waitpkg -mwbnoinvd -mxsave -mxsavec -mxsaveopt -mxsaves -mno-amx-tile -mno-amx-int8 -mno-amx-bf16 -mno-uintr -mno-hreset -mno-kl -mno-widekl -mno-avxvnni -mno-avx512fp16 -mno-avxifma -mno-avxvnniint8 -mno-avxneconvert -mno-cmpccxadd -mno-amx-fp16 -mno-prefetchi -mno-raoint -mno-amx-complex -mno-avxvnniint16 -mno-sm3 -mno-sha512 -mno-sm4 -mno-apxf -mno-usermsr --param=l1-cache-size=32 --param=l1-cache-line-size=64 --param=l2-cache-size=1024 -mtune=znver4 -g -Ofast -std=legacy -ffree-line-length-none -fPIC -ftree-vectorize -fno-omit-frame-pointer -fopenmp -fintrinsic-modules-path /gpfs/app/2025/spack_install/linux-rhel9-zen4/linux-rhel9-zen4/gcc-11.4.1/gcc-14.2.0-fmrcj5jrubquulzxeqmhucxqunhodrxp/bin/../lib/gcc/x86_64-pc-linux-gnu/14.2.0/finclude -fpre-include=/usr/include/finclude/math-vector-fortran.h
qp_run: N/A

Configuration Summary

Dataset
Run Command<executable> fci benzene
Number Processes1
Number Nodes1
FilterNot Used
Profile StartNot Used
Profile StopNot Used
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