OV - Compare Index

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▶Compared Reports

Global Metrics

Metric		r0	r1	r2	r3	r4	r5	r6
Total Time (s)		53.39	54.07	51.97	52.14	52.53	52.47	52.16
Max (Thread Active Time) (s)		53.31	54.00	51.76	51.88	51.88	51.85	51.49
Average Active Time (s)		53.26	53.96	51.49	51.70	51.66	51.62	51.31
Activity Ratio (%)		99.9	99.9	99.3	99.3	99.4	99.3	99.3
Average number of active threads		51.881	51.887	51.527	51.552	51.140	51.155	51.149
Affinity Stability (%)		100.0	100.0	100.0	100.0	100.0	100.0	100.0
Time in analyzed loops (%)		82.8	81.9	82.3	82.2	83.0	83.0	82.9
Time in analyzed innermost loops (%)		47.0	46.2	34.4	34.2	34.3	34.6	34.9
Time in user code (%)		82.8	82.0	82.3	82.2	83.0	83.0	83.0
Compilation Options Score (%)		100	100	16.7	16.7	100	100	100
Array Access Efficiency (%)		78.3	78.1	56.2	56.1	55.8	56.1	56.3

Potential Speedups
Perfect Flow Complexity		1.00	1.00	1.00	1.00	1.00	1.00	1.00
Perfect OpenMP/MPI/Pthread/TBB		1.07	1.07	1.07	1.07	1.07	1.07	1.07
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution		1.21	1.22	1.21	1.20	1.20	1.20	1.20
No Scalar Integer	Potential Speedup	1.43	1.43	1.05	1.05	1.09	1.09	1.09
No Scalar Integer	Nb Loops to get 80%	6	6	1	1	1	1	1
FP Vectorised	Potential Speedup	2.71	2.66	2.41	2.40	2.42	2.43	2.43
FP Vectorised	Nb Loops to get 80%	7	7	6	6	6	6	6
Fully Vectorised	Potential Speedup	3.21	3.13	3.04	3.03	3.08	3.08	3.08
Fully Vectorised	Nb Loops to get 80%	7	7	7	7	7	7	7
Only FP Arithmetic	Potential Speedup	1.60	1.59	1.25	1.25	1.25	1.25	1.25
Only FP Arithmetic	Nb Loops to get 80%	6	6	1	1	1	1	1

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 Object	Issue
▼md-gcc-Ofast–
▼simulation.cpp–
○

Source Object	Issue
▼md-clang-O3-ffast-math–
▼simulation.cpp–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate. Try to complement -g with -grecord-gcc-switches or -frecord-command-line.
○	-O2, -O3 or -Ofast is missing.
○	-march=(target) is missing.

Source Object	Issue
▼md-clang-O3-ffast-math–
▼simulation.cpp–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate. Try to complement -g with -grecord-gcc-switches or -frecord-command-line.
○	-O2, -O3 or -Ofast is missing.
○	-march=(target) is missing.

Source Object	Issue
▼md-icpx-Ofast–
▼random.h–
○
▼simulation.cpp–
○

Source Object	Issue
▼md-icpx-Ofast–
▼random.h–
○
▼simulation.cpp–
○

Source Object	Issue
▼md-icpx-O3–
▼random.h–
○
▼simulation.cpp–
○

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - Skylake GCC Ofast

Run 2 - Skylake GCC Ofast - Code Optimisations version

Run 3 - Skylake Clang O3-ffast-math

Run 4 - Skylake Clang O3-ffast-math - Code Optimisations version

Run 5 - Skylake ICPX Ofast

Run 6 - Skylake ICPX Ofast - Code Optimisations version

Run 7 - Skylake ICPX O3 - Code Optimisations version

Experiment Summaries

	r0	r1	r2	r3	r4	r5	r6
Experiment Name	MD scalability Skylake 2-52 threads runs \| Version : gcc-Ofast	MD scalability Skylake 2-52 threads runs - Code Optimisations version \| Version : gcc-Ofast	MD scalability Skylake 2-52 threads runs (Clang) \| Version : clang-O3-ffast-math	MD scalability Skylake 2-52 threads runs - Code Optimisations version \| Version : clang-O3-ffast-math	MD scalability Skylake 2-52 threads runs (ICPX) \| Version : icpx-Ofast	MD scalability Skylake 2-52 threads runs - Code Optimisations version \| Version : icpx-Ofast	MD scalability Skylake 2-52 threads runs - Code Optimisations version \| Version : icpx-O3
Application	./bin/md-gcc-Ofast	same as r0	./bin/md-clang-O3-ffast-math	same as r2	./bin/md-icpx-Ofast	same as r4	./bin/md-icpx-O3
Timestamp	2025-08-19 19:02:57	2025-08-25 12:16:37	2025-08-21 14:27:56	2025-08-25 12:52:31	2025-08-20 14:58:16	2025-08-25 14:02:04	2025-08-25 13:27:30
Experiment Type	OpenMP;	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Machine	skylake	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Architecture	x86_64	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Micro Architecture	SKYLAKE	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Model Name	Intel(R) Xeon(R) Platinum 8170 CPU @ 2.10GHz	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Cache Size	36608 KB	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of Cores	26	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Maximal Frequency	2.1 GHz	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
OS Version	Linux 6.15.5-arch1-1 #1 SMP PREEMPT_DYNAMIC Sun, 06 Jul 2025 11:14:36 +0000	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Architecture used during static analysis	x86_64	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Micro Architecture used during static analysis	SKYLAKE	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Compilation Options	md-gcc-Ofast: GNU C++17 15.1.1 20250425 -march=skylake-avx512 -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 -mno-avx512vbmi -mno-avx512ifma -mno-avx512vpopcntdq -mno-avx512vbmi2 -mno-gfni -mno-vpclmulqdq -mno-avx512vnni -mno-avx512bitalg -mno-avx512bf16 -mno-avx512vp2intersect -mno-3dnow -madx -mabm -mno-cldemote -mclflushopt -mclwb -mno-clzero -mcx16 -mno-enqcmd -mf16c -mfsgsbase -mfxsr -mhle -msahf -mno-lwp -mlzcnt -mmovbe -mno-movdir64b -mno-movdiri -mno-mwaitx -mno-pconfig -mpku -mprfchw -mno-ptwrite -mno-rdpid -mrdrnd -mrdseed -mrtm -mno-serialize -mno-sgx -mno-sha -mno-shstk -mno-tbm -mno-tsxldtrk -mno-vaes -mno-waitpkg -mno-wbnoinvd -mxsave -mxsavec -mxsaveopt -mxsaves -mno-amx-tile -mno-amx-int8 -mno-amx-bf16 -mno-uintr -mno-hreset -mno-kl -mno-widekl -mno-avxvnni -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 -mno-avx10.2 -mno-amx-avx512 -mno-amx-tf32 -mno-amx-transpose -mno-amx-fp8 -mno-movrs -mno-amx-movrs --param=l1-cache-size=32 --param=l1-cache-line-size=64 --param=l2-cache-size=36608 -mtune=skylake-avx512 -g -Ofast -std=c++17 -fopenmp -funroll-loops	same as r0	md-clang-O3-ffast-math: clang version 20.1.7	same as r2	md-icpx-Ofast: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.2.1 (2024.2.1.20240711) --driver-mode=g++ --intel -I include -std=c++17 -fiopenmp -D USE_OPENMP -Wall -Werror -Wextra -Ofast -funroll-loops -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions	md-icpx-Ofast: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.2.1 (2024.2.1.20240711) --driver-mode=g++ --intel -I include -std=c++17 -fiopenmp -D USE_OPENMP -D COMPUTE_FORCES_OPTIMS -Wall -Werror -Wextra -Ofast -funroll-loops -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions	md-icpx-O3: clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.2.1 (2024.2.1.20240711) --driver-mode=g++ --intel -I include -std=c++17 -fiopenmp -D USE_OPENMP -D COMPUTE_FORCES_OPTIMS -Wall -Werror -Wextra -O3 -funroll-loops -g -x Host -mtune=native -c simulation.cpp -o simulation.o -fveclib=SVML -faltmathlib=SVML -fheinous-gnu-extensions
Number of processes observed	1	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of threads observed	52	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Frequency Driver	intel_cpufreq	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Frequency Governor	schedutil	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Huge Pages	always	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Hyperthreading	off	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of sockets	2	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of cores per socket	26	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
MAQAO version	2025.1.2	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
MAQAO build	a5bc9ffe18a557b734e9194b2a08753f23990eca::20250818-184816	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Comments	Molecular Dynamics Dual Socket Intel Xeon Platinum 8170 (Skylake CPU), 2-52 threads runs	Molecular Dynamics - CODE OPTS version - Dual Socket Intel Xeon Platinum 8170 (Skylake CPU), 2-52 threads runs	same as r0	same as r1	same as r0	same as r1	same as r1

Report Configuration

▶Compared Reports

Global Metrics

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

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - Skylake GCC Ofast

Run 2 - Skylake GCC Ofast - Code Optimisations version

Run 3 - Skylake Clang O3-ffast-math

Run 4 - Skylake Clang O3-ffast-math - Code Optimisations version

Run 5 - Skylake ICPX Ofast

Run 6 - Skylake ICPX Ofast - Code Optimisations version

Run 7 - Skylake ICPX O3 - Code Optimisations version

Experiment Summaries