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cp2k.ssmp - 2023-07-10 16:29:20 - MAQAO 2.17.5

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Global Metrics

Total Time (s)1.40 E3
Profiled Time (s)1.39 E3
Time in analyzed loops (%)87.4
Time in analyzed innermost loops (%)54.0
Time in user code (%)91.6
Compilation Options Score (%)66.7
Perfect Flow Complexity1.03
Array Access Efficiency (%)86.2
GFLOPS3.894
Perfect OpenMP + MPI + Pthread1.01
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.01
No Scalar IntegerPotential Speedup1.15
Nb Loops to get 80%18
FP VectorisedPotential Speedup1.09
Nb Loops to get 80%21
Fully VectorisedPotential Speedup2.46
Nb Loops to get 80%41
FP Arithmetic OnlyPotential Speedup1.77
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
fast.F-x(target) or -ax(target) is missing.
dbcsr_iterator_operations.F-x(target) or -ax(target) is missing.
core_ppnl.F-x(target) or -ax(target) is missing.
cp_dbcsr_operations.F-x(target) or -ax(target) is missing.
dbcsr_mm_csr.F-x(target) or -ax(target) is missing.
dbcsr_mm_cannon.F-x(target) or -ax(target) is missing.
dbcsr_vector.F-x(target) or -ax(target) is missing.
dbcsr_index_operations.F-x(target) or -ax(target) is missing.
pw_methods.F-x(target) or -ax(target) is missing.
dbcsr_api.F-x(target) or -ax(target) is missing.
dbcsr_hash_table.f90-x(target) or -ax(target) is missing.
ai_contraction.F-x(target) or -ax(target) is missing.
dbcsr_mm_dist_operations.F-x(target) or -ax(target) is missing.
dbcsr_dist_operations.F-x(target) or -ax(target) is missing.
dbcsr_block_operations.F-x(target) or -ax(target) is missing.
grid_ref_task_list.c-x(target) or -ax(target) is missing.
qs_overlap.F-x(target) or -ax(target) is missing.
dbcsr_transformations.F-x(target) or -ax(target) is missing.
external_potential_types.F-x(target) or -ax(target) is missing.
grid_library.c-x(target) or -ax(target) is missing.
qs_neighbor_lists.F-x(target) or -ax(target) is missing.
util.F-x(target) or -ax(target) is missing.
xc_pbe.F-x(target) or -ax(target) is missing.
qs_neighbor_list_types.F-x(target) or -ax(target) is missing.
task_list_methods.F-x(target) or -ax(target) is missing.
gaussian_gridlevels.F-x(target) or -ax(target) is missing.
grid_ref_collocate.c-x(target) or -ax(target) is missing.
callgraph.F-x(target) or -ax(target) is missing.
ai_os_rr.F-x(target) or -ax(target) is missing.
dbcsr_array_sort.F-x(target) or -ax(target) is missing.
realspace_grid_types.F-x(target) or -ax(target) is missing.
xc_rho_set_types.F-x(target) or -ax(target) is missing.
grid_process_vab.h-x(target) or -ax(target) is missing.
grid_sphere_cache.c-x(target) or -ax(target) is missing.
dbcsr_ptr_util.F-x(target) or -ax(target) is missing.
qs_ot.F-x(target) or -ax(target) is missing.
dbcsr_block_access.F-x(target) or -ax(target) is missing.
ai_kinetic.F-x(target) or -ax(target) is missing.
qs_kind_types.F-x(target) or -ax(target) is missing.
xc.F-x(target) or -ax(target) is missing.
ai_overlap_ppl.F-x(target) or -ax(target) is missing.
qs_kinetic.F-x(target) or -ax(target) is missing.
dbcsr_toollib.F-x(target) or -ax(target) is missing.
grid_ref_integrate.c-x(target) or -ax(target) is missing.
dbcsr_operations.F-x(target) or -ax(target) is missing.
pw_grids.F-x(target) or -ax(target) is missing.
kahan_sum.F-x(target) or -ax(target) is missing.
dbcsr_mm_common.F-x(target) or -ax(target) is missing.
routine_map.F-x(target) or -ax(target) is missing.
grid_ref_collint.h-x(target) or -ax(target) is missing.
ao_util.F-x(target) or -ax(target) is missing.
dbcsr_mpiwrap.F-x(target) or -ax(target) is missing.
pw_poisson_methods.F-x(target) or -ax(target) is missing.
qs_ks_utils.F-x(target) or -ax(target) is missing.
cp_array_sort.F-x(target) or -ax(target) is missing.
core_ppl.F-x(target) or -ax(target) is missing.
grid_prepare_pab.h-x(target) or -ax(target) is missing.
ai_oneelectron.F-x(target) or -ax(target) is missing.
dbcsr_mm_hostdrv.F-x(target) or -ax(target) is missing.
dbcsr_data_methods_low.F-x(target) or -ax(target) is missing.
grid_ref_prepare_pab.c-x(target) or -ax(target) is missing.
ai_overlap.F-x(target) or -ax(target) 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/ccc/work/cont001/ocre/oserete/cp2k/exe/Linux-intel-x86_64-minimal/cp2k.ssmp
Timestamp2023-07-10 16:29:20 Universal Timestamp1688999360
Number of processes observed1 Number of threads observed1
Experiment TypeOpenMP;
Machineinti6013
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: Intel(R) C Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 Intel(R) C Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.9.0 Build 20230302_000000 : /ccc/work/cont001/ocre/oserete/cp2k/src/grid/ref/grid_ref_integrate.c : -sox -c -O2 -fopenmp -fp-model precise -funroll-loops -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -qopenmp-simd -traceback -mavx2

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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