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Global Metrics

Metricr0r1r2r3r4r5r6r7r8
Total Time (s)22.3217.2021.8322.1418.0221.8919.6618.3722.05
Profiled Time (s)21.2314.7520.7421.0815.4820.8018.5315.6720.94
GFLOPS94.292114.59795.58395.097116.51696.187107.098126.35895.472
Time in analyzed loops (%)63.780.357.253.279.451.450.279.954.2
Time in analyzed innermost loops (%)63.271.856.752.770.150.849.671.053.6
Time in user code (%)63.983.057.453.482.351.650.483.454.4
Compilation Options Score (%)100100100100100100100100100
Array Access Efficiency (%)75.684.576.575.390.075.375.284.875.4
Potential Speedups
Perfect Flow Complexity1.691.791.551.491.731.451.421.721.52
Perfect OpenMP + MPI + Pthread1.201.061.321.351.061.261.401.061.21
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.551.651.721.851.741.921.961.681.82
No Scalar IntegerPotential Speedup1.031.081.031.031.021.031.031.081.03
Nb Loops to get 80%222232222
FP VectorisedPotential Speedup1.461.761.371.341.621.321.301.711.36
Nb Loops to get 80%121121121
Fully VectorisedPotential Speedup1.982.801.801.702.791.661.622.781.72
Nb Loops to get 80%353353352
Only FP ArithmeticPotential Speedup1.101.161.101.091.141.091.091.171.08
Nb Loops to get 80%333333343

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Loop Based Profiles

Innermost / Single Loops

Inbetween Loops

Outermost Loops

Cumulated Coverage With All Loops

Innermost Loop Based Profiles

Coverage

Count

Application Categorization

Time

Coverage

Compilation Options

Source ObjectIssue
▼exec–
▼haloExchange.c–
○
▼ljForce.c–
○
▼timestep.c–
○
▼initAtoms.c–
○
▼linkCells.c–
○

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Experiment Summaries

r0r1r2r3r4r5r6r7r8
Experiment Name
Application/scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/run/oneview_runs/defaults/orig/exec/scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/run/binaries/gcc_13/exec/scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/run/binaries/icx_15/exec/scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/run/oneview_runs/defaults/orig/exec/scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/run/binaries/gcc_8/exec/scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/run/binaries/icx_9/exec/scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/run/oneview_runs/defaults/orig/exec/scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/run/binaries/gcc_13/exec/scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/run/binaries/icx_9/exec
Timestamp2024-04-27 08:06:182024-04-27 08:43:382024-04-27 08:42:552024-04-26 22:07:552024-04-26 22:45:552024-04-26 22:45:112024-04-26 23:37:262024-04-27 00:15:492024-04-27 00:15:05
Experiment TypeMPI; OpenMP; same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Machineo405same as r0same as r0o404same as r3same as r3o401same as r6same as r6
Architecturex86_64same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Micro ArchitectureSAPPHIRE_RAPIDSsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Model NameIntel (R) Xeon (R) CPU Max 9480same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Cache Size115200 KBsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of Cores56same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Maximal Frequency1.901 GHzsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
OS VersionLinux 4.18.0-477.27.1.el8_8.x86_64 #1 SMP Thu Aug 31 10:29:22 EDT 2023same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Architecture used during static analysisx86_64same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Micro Architecture used during static analysisSAPPHIRE_RAPIDSsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Compilation Options exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/build -I /opt/intel/oneapi/mpi/2021.12/include -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/build -I /opt/intel/oneapi/mpi/2021.12/include -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions exec: GNU GIMPLE 13.1.0 -march=sapphirerapids -g -g -O2 -O2 -fno-openacc -fno-pie -fcf-protection=none -fsave-optimization-record -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops -fltrans exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/icx_15 -I /opt/intel/oneapi/mpi/2021.12/include -fargument-noalias -qopt-report=3 -D DO_MPI -O2 -x CORE-AVX2 -flto=full -g -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-419-7821/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/build -I /opt/intel/oneapi/mpi/2021.12/include -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/build -I /opt/intel/oneapi/mpi/2021.12/include -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions exec: GNU C17 13.1.0 -march=haswell -g -O2 -fsave-optimization-record -fno-tree-vectorize -fno-openmp-simd -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/icx_9 -I /opt/intel/oneapi/mpi/2021.12/include -O3 -fargument-noalias -qopt-report=3 -D DO_MPI -O3 -x SAPPHIRERAPIDS -flto=full -g -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-416-1926/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) /opt/intel/oneapi/compiler/2024.1/bin/compiler/clang --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/build -I /opt/intel/oneapi/mpi/2021.12/include -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/build -I /opt/intel/oneapi/mpi/2021.12/include -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -grecord-command-line -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions same as r1exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.1.0 (2024.1.0.20240308) --intel -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp -I /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/icx_9 -I /opt/intel/oneapi/mpi/2021.12/include -O3 -fargument-noalias -qopt-report=3 -D DO_MPI -O3 -x SAPPHIRERAPIDS -flto=full -g -fno-omit-frame-pointer -fcf-protection=none -nopie -fiopenmp -MD -MT CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -MF CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o.d -o CMakeFiles/CoMD-openmp-mpi.dir/CoMD/src-openmp/ljForce.c.o -c /scratch_na/users/xoserete/qaas_runs/171-416-7289/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions
Number of processes observed2same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of threads observed112same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Frequency Driveracpi-cpufreqsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Frequency Governorperformancesame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Huge Pagesneversame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Hyperthreadingonsame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of sockets2same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Number of cores per socket56same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
MAQAO version2.20.0same as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
MAQAO buildBuild information not availablesame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
Commentssame as r0same as r0same as r0same as r0same as r0same as r0same as r0same as r0
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