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Global Metrics

Metricr0r1r2r3r4r5
Total Time (s)29.0828.2228.9529.2030.0329.25
Max (Thread Active Time) (s)28.2727.3825.7128.3929.1125.61
Average Active Time (s)28.1727.2621.3828.2829.0321.48
Activity Ratio (%)98.898.775.398.898.775.0
Average number of active threads247.983247.319189.099247.940247.442187.988
Affinity Stability (%)99.999.899.899.999.899.8
Time in analyzed loops (%)72.669.392.571.367.592.0
Time in analyzed innermost loops (%)71.766.977.170.466.578.5
Time in user code (%)72.969.593.371.567.892.8
Compilation Options Score (%)10066.710010010087.5
Array Access Efficiency (%)96.192.983.996.194.795.0
Potential Speedups
Perfect Flow Complexity2.232.092.622.162.032.55
Perfect OpenMP + MPI + Pthread1.151.171.031.171.131.06
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution1.361.411.271.381.441.27
No Scalar IntegerPotential Speedup1.001.001.011.001.011.00
Nb Loops to get 80%223222
FP VectorisedPotential Speedup1.581.552.041.491.561.93
Nb Loops to get 80%112112
Fully VectorisedPotential Speedup2.572.254.192.472.365.19
Nb Loops to get 80%212225
Only FP ArithmeticPotential Speedup1.031.101.061.061.131.06
Nb Loops to get 80%462323

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–
○
▼random.c–
○
▼initAtoms.c–
○
▼linkCells.c–
○

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - orig_default

Run 2 - icx_default

Run 3 - gcc_default

Run 4 - aocc_1

Run 5 - icx_3

Run 6 - gcc_10

Experiment Summaries

r0r1r2r3r4r5
Experiment Name
Application/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/oneview_runs/defaults/orig/exec/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/base_runs/defaults/icx/exec/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/base_runs/defaults/gcc/exec/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/binaries/aocc_1/exec/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/binaries/icx_3/exec/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/run/binaries/gcc_10/exec
Timestamp2025-02-24 22:57:342025-02-24 22:59:482025-02-24 23:02:052025-02-24 23:49:462025-02-24 23:50:332025-02-24 23:51:20
Experiment TypeMPI; OpenMP; same as r0same as r0same as r0same as r0same as r0
Machinegmz10.benchmarkcenter.megware.comsame as r0same as r0same as r0same as r0same as r0
Architecturex86_64same as r0same as r0same as r0same as r0same as r0
Micro ArchitectureZEN_V5same as r0same as r0same as r0same as r0same as r0
Model NameAMD EPYC 9745 128-Core Processorsame as r0same as r0same as r0same as r0same as r0
Cache Size1024 KBsame as r0same as r0same as r0same as r0same as r0
Number of Cores128same as r0same as r0same as r0same as r0same as r0
Maximal Frequency3.707812 GHzsame as r0same as r0same as r0same as r0same as r0
OS VersionLinux 5.14.0-503.19.1.el9_5.x86_64 #1 SMP PREEMPT_DYNAMIC Tue Jan 7 17:08:27 EST 2025same 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 r0
Micro Architecture used during static analysisZEN_V5same as r0same as r0same as r0same as r0same as r0
Compilation Options exec: AMD clang version 17.0.6 (CLANG: AOCC_5.0.0-Build#1377 2024_09_24) /cluster/comp/aocc/5.0.0/bin/clang-17 -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/build -O3 -march=native -D DO_MPI -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -fopenmp=libomp -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 /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/icx -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -march=native -D DO_MPI -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -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 /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions --intel -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/icx -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -march=native -D DO_MPI -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -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 /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions exec: GNU C17 14.2.0 -march=znver5 -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 -mavx512vp2intersect -mno-3dnow -madx -mabm -mno-cldemote -mclflushopt -mclwb -mclzero -mcx16 -mno-enqcmd -mf16c -mfsgsbase -mfxsr -mno-hle -msahf -mno-lwp -mlzcnt -mmovbe -mmovdir64b -mmovdiri -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 -mavxvnni -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=48 --param=l1-cache-line-size=64 --param=l2-cache-size=1024 -mtune=znver5 -g -O3 -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops exec: AMD clang version 17.0.6 (CLANG: AOCC_5.0.0-Build#1377 2024_09_24) /cluster/comp/aocc/5.0.0/bin/clang-17 -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/aocc_1 -O3 -D DO_MPI -O3 -march=znver5 -ffast-math -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -fopenmp=libomp -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 /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include exec: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/icx_3 -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -D DO_MPI -O3 -axCORE-AVX512 -mprefer-vector-width=256 -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -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 /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions --intel -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/icx_3 -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -D DO_MPI -O3 -axCORE-AVX512 -mprefer-vector-width=256 -g -fno-omit-frame-pointer -fcf-protection=none -nopie -grecord-command-line -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 /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -fveclib=SVML -fheinous-gnu-extensions exec: GNU C17 14.2.0 -march=znver5 -g -O2 -fno-tree-vectorize -fno-openmp-simd -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops
Number of processes observed8same as r0same as r0same as r0same as r0same as r0
Number of threads observed256same as r0same as r0same as r0same as r0same as r0
Frequency Driveracpi-cpufreqsame as r0same as r0same as r0same as r0same as r0
Frequency Governorperformancesame as r0same as r0same as r0same as r0same as r0
Huge Pagesalwayssame as r0same as r0same as r0same as r0same as r0
Hyperthreadingonsame as r0same as r0same as r0same as r0same as r0
Number of sockets2same as r0same as r0same as r0same as r0same as r0
Number of cores per socket128same as r0same as r0same as r0same as r0same as r0
MAQAO version2.21.1same as r0same as r0same as r0same as r0same as r0
MAQAO build8271f65b618decdd516f3bd4a943e5566ffabed6::20250211-191351same as r0same as r0same as r0same as r0same as r0
Commentssame as r0same as r0same as r0same as r0same as r0
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