options

Help is available by moving the cursor above any symbol or by checking MAQAO website.

Global Metrics

Metricr0r1r2r3r4r5
Total Time (s)13.9915.0817.8514.2614.0117.88
Max (Thread Active Time) (s)13.4414.5916.7713.6113.5116.86
Average Active Time (s)13.1114.184.6013.3013.134.46
Activity Ratio (%)97.997.626.497.997.825.5
Average number of active threads178.921179.51849.491178.157179.02247.855
Affinity Stability (%)99.299.496.998.999.396.7
GFLOPS155.719158.154150.675153.774156.878137.485
Time in analyzed loops (%)22.823.771.123.023.869.8
Time in analyzed innermost loops (%)22.323.459.122.623.457.5
Time in user code (%)22.923.971.723.123.971.8
Compilation Options Score (%)10066.710010010087.5
Array Access Efficiency (%)93.596.489.394.095.285.5
Potential Speedups
Perfect Flow Complexity1.191.221.711.181.201.61
Perfect OpenMP/MPI/Pthread/TBB1.091.091.061.091.091.06
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution4.023.885.013.993.875.19
No Scalar IntegerPotential Speedup1.011.011.011.011.001.03
Nb Loops to get 80%233223
FP VectorisedPotential Speedup1.141.171.811.131.131.79
Nb Loops to get 80%112112
Fully VectorisedPotential Speedup1.221.252.251.231.232.21
Nb Loops to get 80%113214
Only FP ArithmeticPotential Speedup1.021.011.071.021.021.08
Nb Loops to get 80%435344

FLOPS Breakdown

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 0 - orig_default

Enable log scale

Run 1 - aocc_default

Enable log scale

Run 2 - gcc_default

Enable log scale

Run 3 - icx_4

Enable log scale

Run 4 - aocc_2

Enable log scale

Run 5 - gcc_9

Enable log scale

Experiment Summaries

r0r1r2r3r4r5
Experiment Name
Application/beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/run/oneview_runs/defaults/orig/exec/beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/run/base_runs/defaults/aocc/exec/beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/run/base_runs/defaults/gcc/exec/beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/run/binaries/icx_4/exec/beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/run/binaries/aocc_2/exec/beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/run/binaries/gcc_9/exec
Timestamp2026-08-13 16:59:312026-08-13 17:01:002026-08-13 17:02:322026-08-13 17:30:182026-08-13 17:30:542026-08-13 17:31:26
Experiment TypeMPI; OpenMP; same as r0same as r0same as r0same as r0same as r0
Machineisix07.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 ArchitectureGRANITE_RAPIDSsame as r0same as r0same as r0same as r0same as r0
Model NameIntel(R) Xeon(R) 6972Psame as r0same as r0same as r0same as r0same as r0
Cache Size491520 KBsame as r0same as r0same as r0same as r0same as r0
Number of Cores96same as r0same as r0same as r0same as r0same as r0
Maximal Frequency3.90 GHzsame as r0same as r0same as r0same as r0same as r0
OS VersionLinux 5.14.0-687.31.1.el9_8.x86_64 #1 SMP PREEMPT_DYNAMIC Sat Aug 1 05:38:01 EDT 2026same 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 analysisGRANITE_RAPIDSsame as r0same as r0same as r0same as r0same as r0
Compilation Options exec: --intel -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/build -O3 -march=native -fargument-noalias -qopt-report=3 -D DO_MPI -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -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 /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/hpcx/2.22/ompi5-ifx-mt/include -I /cluster/hpcx/2.22/ompi5-ifx-mt/include/openmpi -fveclib=SVML exec: AMD clang version 17.0.6 (CLANG: AOCC_5.1.0-Build#1994 2025_12_23) /cluster/comp/aocc/5.1.0/bin/clang-17 -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/aocc -O3 -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 /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/hpcx/2.23/ompi5-aocc-mt/include -I /cluster/hpcx/2.23/ompi5-aocc-mt/include/openmpi exec: GNU C23 15.1.0 -march=graniterapids -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -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 -mcldemote -mclflushopt -mclwb -mno-clzero -mcx16 -menqcmd -mf16c -mfsgsbase -mfxsr -mno-hle -msahf -mno-lwp -mlzcnt -mmovbe -mmovdir64b -mmovdiri -mno-mwaitx -mpconfig -mpku -mprfchw -mptwrite -mrdpid -mrdrnd -mrdseed -mno-rtm -mserialize -msgx -msha -mshstk -mno-tbm -mtsxldtrk -mvaes -mwaitpkg -mwbnoinvd -mxsave -mxsavec -mxsaveopt -mxsaves -mamx-tile -mamx-int8 -mamx-bf16 -muintr -mhreset -mno-kl -mno-widekl -mavxvnni -mavx512fp16 -mno-avxifma -mno-avxvnniint8 -mno-avxneconvert -mno-cmpccxadd -mamx-fp16 -mprefetchi -mno-raoint -mno-amx-complex -mno-avxvnniint16 -mno-sm3 -mno-sha512 -mno-sm4 -mno-apxf -mno-usermsr -mavx10.1-256 -mavx10.1-512 -mno-avx10.2 -mno-amx-avx512 -mno-amx-tf32 -mno-amx-transpose -mno-amx-fp8 -mno-movrs -mno-amx-movrs --param=l1-cache-size=48 --param=l1-cache-line-size=64 --param=l2-cache-size=491520 -mtune=graniterapids -g -O3 -fsave-optimization-record -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops exec: --intel -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/icx_4 -O3 -fargument-noalias -qopt-report=3 -D DO_MPI -O3 -x GRANITERAPIDS -mprefer-vector-width=128 -g -fno-omit-frame-pointer -fcf-protection=none -no-pie -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 /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/hpcx/2.22/ompi5-ifx-mt/include -I /cluster/hpcx/2.22/ompi5-ifx-mt/include/openmpi -fveclib=SVML exec: AMD clang version 17.0.6 (CLANG: AOCC_5.1.0-Build#1994 2025_12_23) /cluster/comp/aocc/5.1.0/bin/clang-17 -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp -I /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/aocc_2 -O3 -D DO_MPI -O3 -march=graniterapids -mprefer-vector-width=512 -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 /beegfs/hackathon/users/eoseret/qaas_runs_test/178-663-3083/intel/CoMD/build/CoMD/CoMD/src-openmp/ljForce.c -I /cluster/hpcx/2.23/ompi5-aocc-mt/include -I /cluster/hpcx/2.23/ompi5-aocc-mt/include/openmpi exec: GNU C23 15.1.0 -march=graniterapids -mprefer-vector-width=128 -g -O2 -fsave-optimization-record -ffast-math -fno-omit-frame-pointer -fcf-protection=none -fopenmp -funroll-loops
Number of processes observed1same as r0same as r0same as r0same as r0same as r0
Number of threads observed191same as r0192same as r0same as r0same as r2
Frequency Driverintel_pstatesame 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 socket96same as r0same as r0same as r0same as r0same as r0
MAQAO version2026.1.0same as r0same as r0same as r0same as r0same as r0
MAQAO build6d1be1d51c1e63266254997eb301734a7264775d::20260810-150026same as r0same as r0same as r0same as r0same as r0
Commentssame as r0same as r0same as r0same as r0same as r0

×