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cp2k.ssmp - 2023-07-10 17:56:28 - MAQAO 2.17.5

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Global Metrics

Total Time (s)924.86
Profiled Time (s)911.27
Time in analyzed loops (%)62.9
Time in analyzed innermost loops (%)36.6
Time in user code (%)66.7
Compilation Options Score (%)75.0
Perfect Flow Complexity1.04
Array Access Efficiency (%)83.1
GFLOPS7.416
Perfect OpenMP + MPI + Pthread1.01
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.01
No Scalar IntegerPotential Speedup1.19
Nb Loops to get 80%23
FP VectorisedPotential Speedup1.19
Nb Loops to get 80%31
Fully VectorisedPotential Speedup1.80
Nb Loops to get 80%41
FP Arithmetic OnlyPotential Speedup1.57
Nb Loops to get 80%41

CQA Potential Speedups Summary

Loop Based Profile⏎

Innermost Loop Based Profile⏎

Application Categorization⏎

Compilation Options⏎

Source ObjectIssue
▼cp2k.ssmp–
○dbcsr_data_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○direct.c-funroll-loops is missing.
○dbcsr_index_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ct.c-funroll-loops is missing.
○dbcsr_api.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_hash_table.f90-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ai_contraction.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_block_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_ref_task_list.c-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_library.c-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○q1fv_5.c-funroll-loops is missing.
○n1fv_3.c-funroll-loops is missing.
○qs_neighbor_list_types.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ai_os_rr.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_mm_common.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○t3fv_5.c-funroll-loops is missing.
○qs_ot.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_dist_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○qs_kind_types.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○xc.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○qs_kinetic.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○vrank-geq1.c-funroll-loops is missing.
○qs_neighbor_lists.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_ref_collint.h-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○timings.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○pw_poisson_methods.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○util.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○core_ppl.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○n1bv_5.c-funroll-loops is missing.
○ai_oneelectron.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_ref_prepare_pab.c-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ai_overlap.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○cp_dbcsr_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_block_access.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_vector.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_transformations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○pw_methods.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_mm_dist_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○xc_pbe.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○t3bv_5.c-funroll-loops is missing.
○task_list_methods.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○routine_map.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○n1bv_3.c-funroll-loops is missing.
○callgraph.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○qs_overlap.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○q1bv_5.c-funroll-loops is missing.
○xc_rho_set_types.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_ref_integrate.c-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_toollib.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_ptr_util.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○list_routinestat.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○xc_derivative_set_types.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ai_kinetic.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_mm_csr.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ai_overlap_ppl.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_array_sort.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_mm_multrec.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_iterator_operations.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_process_vab.h-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○fast.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_ref_collocate.c-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○qs_ks_utils.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○kahan_sum.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dftw-directsq.c-funroll-loops is missing.
○core_ppnl.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dftw-direct.c-funroll-loops is missing.
○dbcsr_mpiwrap.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_methods.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○n1fv_5.c-funroll-loops is missing.
○cp_array_sort.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○pw_grids.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○ao_util.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○grid_sphere_cache.c-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_mm_hostdrv.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_data_methods_low.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○external_potential_types.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○dbcsr_mm_cannon.F-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.

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/ccc/work/cont001/ocre/oserete/cp2k/exe/local/cp2k.ssmp
Timestamp2023-07-10 17:56:28 Universal Timestamp1689004588
Number of processes observed1 Number of threads observed1
Experiment TypeOpenMP;
Machineinti6001
Model NameAMD EPYC 7H12 64-Core Processor
Architecturex86_64 Micro ArchitectureZEN_V2
Cache Size512 KB Number of Cores64
OS VersionLinux 4.18.0-305.88.1.el8_4.x86_64 #1 SMP Thu Apr 6 10:22:46 EDT 2023
Architecture used during static analysisx86_64 Micro Architecture used during static analysisZEN_V2
Frequency Driveracpi-cpufreq Frequency Governorperformance
Huge Pagesmadvise Hyperthreadingon
Number of sockets2 Number of cores per socket64
Compilation Options
cp2k.ssmp: GNU Fortran2008 12.2.0 --param=l1-cache-size=32 --param=l1-cache-line-size=64 --param=l2-cache-size=512 -mtune=znver2 -march=x86-64 -g -O3 -std=f2008 -fno-omit-frame-pointer -fopenmp -fcf-protection=none -funroll-loops -fbacktrace -ffree-form -fimplicit-none -fintrinsic-modules-path /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/bin/../lib/gcc/x86_64-pc-linux-gnu/12.2.0/finclude -fpre-include=/usr/include/finclude/math-vector-fortran.h

Configuration Summary

Dataset
Run Command<executable> H2O-gga.inp
Number Processes1
Number Nodes1
FilterNot Used
Profile StartNot Used
Maximal Path Number4
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