OV - - Functions and Loops

Run 2x1	Number processes: 2Number nodes: 1Number processes per node: 2Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -np <number_processes>Dataset: Run Directory: /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/run/oneview_runs/compilers/icx_2/oneview_run_1711485102I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spreadOMP_NUM_THREADS: 1
Run 2x2	OMP_NUM_THREADS: 2I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread
Run 2x4	OMP_NUM_THREADS: 4I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread
Run 2x8	OMP_NUM_THREADS: 8I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread
Run 2x16	OMP_NUM_THREADS: 16I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread
Run 2x32	OMP_NUM_THREADS: 32I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread
Run 2x48	OMP_NUM_THREADS: 48I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread

Name	Module	Coverage 2x1 (%)	Coverage 2x2 (%)	Coverage 2x4 (%)	Coverage 2x8 (%)	Coverage 2x16 (%)	Coverage 2x32 (%)	Coverage 2x48 (%)	Max Time Over Threads 2x1 (s)	Max Time Over Threads 2x2 (s)	Max Time Over Threads 2x4 (s)	Max Time Over Threads 2x8 (s)	Max Time Over Threads 2x16 (s)	Max Time Over Threads 2x32 (s)	Max Time Over Threads 2x48 (s)	Time w.r.t. Wall Time 2x1 (s)	Time w.r.t. Wall Time 2x2 (s)	Time w.r.t. Wall Time 2x4 (s)	Time w.r.t. Wall Time 2x8 (s)	Time w.r.t. Wall Time 2x16 (s)	Time w.r.t. Wall Time 2x32 (s)	Time w.r.t. Wall Time 2x48 (s)	Nb Threads 2x1	Nb Threads 2x2	Nb Threads 2x4	Nb Threads 2x8	Nb Threads 2x16	Nb Threads 2x32	Nb Threads 2x48	Deviation (coverage) 2x1	Deviation (coverage) 2x2	Deviation (coverage) 2x4	Deviation (coverage) 2x8	Deviation (coverage) 2x16	Deviation (coverage) 2x32	Deviation (coverage) 2x48	Deviation (walltime) 2x1	Deviation (walltime) 2x2	Deviation (walltime) 2x4	Deviation (walltime) 2x8	Deviation (walltime) 2x16	Deviation (walltime) 2x32	Deviation (walltime) 2x48	Categories 2x1	Categories 2x2	Categories 2x4	Categories 2x8	Categories 2x16	Categories 2x32	Categories 2x48	GFLOPS 2x1	GFLOPS 2x2	GFLOPS 2x4	GFLOPS 2x8	GFLOPS 2x16	GFLOPS 2x32	GFLOPS 2x48	Compilation Options	(2x1) Efficiency	(2x1) Potential Speed-Up (%)	(2x2) Efficiency	(2x2) Potential Speed-Up (%)	(2x4) Efficiency	(2x4) Potential Speed-Up (%)	(2x8) Efficiency	(2x8) Potential Speed-Up (%)	(2x16) Efficiency	(2x16) Potential Speed-Up (%)	(2x32) Efficiency	(2x32) Potential Speed-Up (%)	(2x48) Efficiency	(2x48) Potential Speed-Up (%)
►ljForce.extracted+	exec	93.54	91.8	89.04	83.1	73.62	58.85	48.88	248.88	124.56	62.43	31.4	15.81	10.05	7.92	249.09	124.88	62.47	31.23	15.64	9.18	7.01	2	4	8	16	32	64	96	0.11	0.31	0.41	1.03	1.06	4.31	3.73	0.10	0.19	0.06	0.26	0.14	0.69	0.54	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	8.41	16.77	33.52	67.05	133.89	228.12	298.73	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1	0.25	1	0.28	1	0.25	1	0.34	0.85	8.95	0.74	12.7
►Loop 83 - ljForce.c:172-216 - exec [...]+		0.02	0.02	0.02	0.02	0.01	0.01	0.01	0.07	0.03	0.02	0.02	0.01	0.01	0.01	0.05	0.02	0.01	0.01	0	0	0	2	4	8	16	32	64	96	0.01	0.00	0.01	0.01	0.02	0.02	0.02	0.02	0.00	0.01	0.00	0.00	0.00	0.00								14.89	37.10	70.95	68.10	0.00	0.00	0.00		1	0	1.25	0	1.25	0	0.63	0.01	1	0	1	0	1	0
►Loop 84 - ljForce.c:178-216 - exec [...]+		0.48	0.46	0.45	0.41	0.34	0.28	0.26	1.28	0.67	0.39	0.2	0.11	0.09	0.09	1.27	0.63	0.32	0.15	0.07	0.04	0.04	2	4	8	16	32	64	96	0.01	0.02	0.06	0.07	0.09	0.11	0.10	0.02	0.03	0.04	0.03	0.02	0.02	0.01								12.22	24.76	49.25	103.78	224.21	389.61	390.29		1	0	1.01	-0	0.99	0	1.06	0	1.13	0	0.99	0	0.66	0.09
►Loop 85 - ljForce.c:187-216 - exec [...]+		1.06	1	1.03	0.92	0.8	0.68	0.54	2.88	1.44	0.84	0.44	0.23	0.2	0.12	2.84	1.36	0.72	0.35	0.17	0.11	0.08	2	4	8	16	32	64	96	0.03	0.07	0.12	0.14	0.15	0.16	0.14	0.07	0.09	0.08	0.05	0.03	0.02	0.02								12.21	25.32	47.76	99.20	204.00	316.83	431.39		1	0	1.04	0	0.99	0.01	1.01	0	1.04	0	0.81	0.13	0.74	0.14
○Loop 86 - ljForce.c:191-216 - exec [...]		91.98	90.32	87.54	81.74	72.46	57.88	48.07	244.78	122.59	61.4	30.96	15.59	9.94	7.79	244.93	122.87	61.42	30.72	15.39	9.03	6.9	2	4	8	16	32	64	96	0.08	0.23	0.43	1.05	1.05	4.30	3.68	0.17	0.23	0.11	0.27	0.15	0.68	0.54								8.34	16.63	33.27	66.51	132.75	226.24	296.12		1	0	1	0.3	1	0.27	1	0.28	0.99	0.39	0.85	8.82	0.74	12.52
►advanceVelocity.extracted+	exec	1.13	1.1	1.06	1.22	1.7	1.7	2.56	2.99	1.5	0.78	0.5	0.42	0.35	0.59	3	1.5	0.74	0.46	0.36	0.27	0.37	2	4	8	16	32	64	96	0.00	0.01	0.04	0.07	0.15	0.29	0.71	0.00	0.01	0.03	0.03	0.03	0.04	0.10	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.60	3.20	6.49	10.43	13.35	17.80	12.96	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1	0	1.01	0	0.82	0.23	0.52	0.81	0.35	1.11	0.17	2.13
►Loop 91 - timestep.c:71-78 - exec+		0.03	0.03	0.02	0.02	0.04	0.03	0.05	0.09	0.06	0.04	0.02	0.02	0.03	0.03	0.07	0.04	0.02	0.01	0.01	0.01	0.01	2	4	8	16	32	64	96	0.01	0.02	0.01	0.02	0.03	0.04	0.05	0.03	0.02	0.01	0.01	0.01	0.01	0.01								3.66	6.18	12.45	24.80	23.25	22.60	24.85		1	0	0.88	0	0.88	0	0.88	0	0.44	0.02	0.22	0.02	0.15	0.04
○Loop 92 - timestep.c:74-78 - exec		1.1	1.07	1.03	1.2	1.67	1.67	2.51	2.94	1.48	0.76	0.49	0.41	0.35	0.58	2.93	1.46	0.72	0.45	0.35	0.26	0.36	2	4	8	16	32	64	96	0.01	0.01	0.04	0.07	0.15	0.29	0.70	0.03	0.02	0.03	0.03	0.03	0.04	0.10								1.55	3.12	6.32	10.11	13.06	17.61	12.63		1	0	1	-0	1.02	0	0.81	0.22	0.52	0.8	0.35	1.08	0.17	2.08
►sortAtomsInCell+	exec	1.08	1.06	1.01	1.08	1.32	1.51	2.73	3	1.53	0.79	0.47	0.37	0.38	0.62	2.87	1.45	0.71	0.41	0.28	0.24	0.39	2	4	8	16	32	64	96	0.07	0.07	0.08	0.10	0.19	0.39	0.77	0.19	0.09	0.05	0.04	0.04	0.06	0.11	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	0.99	0.01	1.01	0	0.88	0.13	0.64	0.47	0.37	0.95	0.15	2.31
○Loop 57 - haloExchange.c:621-629 - exec		1	0.99	0.93	1.01	1.24	1.45	2.67	2.78	1.43	0.73	0.43	0.35	0.36	0.61	2.67	1.35	0.65	0.38	0.26	0.23	0.38	2	4	8	16	32	64	96	0.06	0.06	0.08	0.09	0.20	0.39	0.77	0.17	0.08	0.05	0.03	0.04	0.06	0.11								0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.99	0.01	1.03	0	0.88	0.12	0.64	0.44	0.36	0.92	0.15	2.28
○Loop 58 - haloExchange.c:633-642 - exec		0.06	0.06	0.07	0.06	0.05	0.05	0.04	0.19	0.09	0.06	0.04	0.02	0.03	0.02	0.15	0.08	0.05	0.02	0.01	0.01	0.01	2	4	8	16	29	49	69	0.02	0.01	0.02	0.03	0.03	0.04	0.03	0.06	0.02	0.02	0.01	0.01	0.01	0.00								0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.94	0	0.75	0.02	0.94	0	0.94	0	0.47	0.03	0.31	0.03
►ljForce.extracted.27+	exec	1.03	1.11	1.06	1.04	1.12	1.03	0.95	2.76	1.61	0.85	0.43	0.3	0.2	0.2	2.74	1.51	0.75	0.39	0.24	0.16	0.14	2	4	8	16	32	64	96	0.02	0.08	0.09	0.08	0.15	0.13	0.17	0.04	0.11	0.07	0.03	0.03	0.02	0.02	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	0.91	0.1	0.91	0.09	0.88	0.13	0.71	0.32	0.54	0.48	0.41	0.56
○Loop 88 - ljForce.c:157-158 - exec [...]		1.03	1.11	1.06	1.04	1.12	1.03	0.95	2.76	1.61	0.85	0.43	0.3	0.2	0.2	2.74	1.51	0.75	0.39	0.24	0.16	0.14	2	4	8	16	32	64	96	0.02	0.08	0.09	0.08	0.15	0.13	0.17	0.04	0.11	0.07	0.03	0.03	0.02	0.02								0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.91	0.1	0.91	0.09	0.88	0.13	0.71	0.32	0.54	0.48	0.41	0.56
○Loop 87 - ljForce.c:158-161 - exec [...]		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00								0.00	0.00	0.00	0.00	0.00	0.00	0.00
►updateLinkCells+	exec	0.68	0.68	0.6	0.58	0.52	0.38	0.29	1.83	1.88	1.71	1.76	1.79	1.93	2.02	1.82	0.92	0.42	0.22	0.11	0.06	0.04	2	2	2	2	2	2	2	0.01	0.05	0.02	0.11	0.12	0.17	0.09	0.02	0.07	0.02	0.05	0.04	0.03	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.33	2.63	5.77	11.02	22.04	40.40	60.65	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	0.99	0.01	1.08	0	1.03	0	1.03	0	0.95	0.02	0.95	0.02
►Loop 79 - linkCells.c:209-371 - exec [...]+		0.01	0.01	0.01	0.01	0.01	0.01	0	0.02	0.02	0.02	0.01	0.03	0.03	0.03	0.02	0.01	0	0	0	0	0	2	2	2	2	2	2	2	0.00	0.00	0.01	0.00	0.02	0.02	0.03	0.00	0.00	0.00	0.00	0.00	0.00	0.00								3.58	7.55	0.00	0.00	0.00	0.00	0.00		1	0	1	0	1	0	1	0	1	0	1	0	1	0
○Loop 80 - linkCells.c:209-371 - exec [...]		0.68	0.67	0.6	0.57	0.51	0.38	0.29	1.81	1.87	1.69	1.75	1.76	1.9	1.99	1.8	0.91	0.42	0.21	0.11	0.06	0.04	2	2	2	2	2	2	2	0.01	0.06	0.02	0.11	0.11	0.14	0.12	0.02	0.07	0.01	0.05	0.04	0.03	0.01								1.31	2.58	5.57	11.18	21.40	39.13	58.61		1	0	0.99	0.01	1.07	0	1.07	0	1.02	0	0.94	0.02	0.94	0.02
►advancePosition.extracted+	exec	0.64	0.62	0.58	0.64	0.83	0.96	1.59	1.71	0.87	0.44	0.28	0.21	0.21	0.36	1.7	0.84	0.41	0.24	0.18	0.15	0.23	2	4	8	16	32	64	96	0.01	0.03	0.04	0.06	0.10	0.17	0.41	0.02	0.03	0.03	0.02	0.02	0.03	0.06	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.99	4.03	8.22	13.65	16.36	21.63	14.66	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1.01	0	1.04	0	0.89	0.07	0.59	0.34	0.35	0.62	0.15	1.35
►Loop 93 - timestep.c:85-94 - exec+		0.06	0.07	0.06	0.06	0.08	0.09	0.14	0.17	0.1	0.07	0.04	0.03	0.03	0.05	0.16	0.09	0.04	0.02	0.02	0.01	0.02	2	4	8	16	32	64	95	0.00	0.01	0.03	0.02	0.04	0.05	0.08	0.01	0.01	0.02	0.01	0.01	0.01	0.01								7.70	14.09	30.50	58.40	52.20	118.00	55.40		1	0	0.89	0.01	1	0	1	0	0.5	0.04	0.5	0.04	0.17	0.12
○Loop 94 - timestep.c:88-94 - exec		0.58	0.55	0.52	0.58	0.75	0.87	1.45	1.54	0.77	0.41	0.26	0.2	0.2	0.33	1.54	0.75	0.37	0.22	0.16	0.14	0.21	2	4	8	16	32	64	96	0.00	0.02	0.04	0.05	0.10	0.19	0.38	0.01	0.02	0.03	0.02	0.02	0.03	0.05								1.39	2.82	5.82	9.58	11.88	14.74	10.78		1	0	1.03	0	1.04	0	0.88	0.07	0.6	0.3	0.34	0.57	0.15	1.23
○Loop 95 - timestep.c:88-94 - exec		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00								0.00	0.00	0.00	0.00	0.00	0.00	0.00
►__intel_avx_rep_memset+	exec	0.35	0.36	0.37	0.32	0.28	0.25	0.21	0.95	0.5	0.32	0.15	0.1	0.09	0.06	0.93	0.49	0.26	0.12	0.06	0.04	0.03	2	4	8	16	32	63	95	0.01	0.01	0.05	0.06	0.09	0.11	0.09	0.04	0.01	0.04	0.02	0.02	0.02	0.01	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.95	0.02	0.89	0.04	0.97	0.01	0.97	0.01	0.73	0.07	0.65	0.07
○Loop 126 - - exec		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00								0.00	0.00	0.00	0.00	0.00	0.00	0.00
○msort_with_tmp.part.0	libc.so.6	0.31	0.31	0.31	0.29	0.24	0.23	0.18	0.96	0.46	0.24	0.16	0.09	0.06	0.06	0.82	0.42	0.21	0.11	0.05	0.04	0.03	2	4	8	16	32	64	95	0.07	0.02	0.02	0.07	0.07	0.09	0.08	0.20	0.03	0.02	0.03	0.02	0.01	0.01	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.98	0.01	0.98	0.01	0.93	0.02	1.02	0	0.64	0.08	0.57	0.08
○putAtomInBox	exec	0.27	0.28	0.29	0.27	0.23	0.16	0.12	0.72	0.78	0.81	0.82	0.79	0.84	0.82	0.72	0.39	0.2	0.1	0.05	0.03	0.02	2	2	2	2	2	2	2	0.00	0.01	0.02	0.02	0.12	0.12	0.06	0.01	0.01	0.01	0.01	0.02	0.02	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.31	0.56	1.03	2.24	4.65	7.53	11.53	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	0.92	0.02	0.9	0.03	0.9	0.03	0.9	0.02	0.75	0.04	0.75	0.03
○__memcpy_avx512_unaligned_erms	libc.so.6	0.18	0.18	0.17	0.17	0.14	0.12	0.12	0.48	0.28	0.15	0.09	0.05	0.04	0.04	0.47	0.25	0.12	0.06	0.03	0.02	0.02	2	4	8	16	32	61	90	0.01	0.03	0.03	0.05	0.05	0.05	0.06	0.01	0.03	0.02	0.02	0.01	0.01	0.01	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	Memory (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.94	0.01	0.98	0	0.98	0	0.98	0	0.73	0.03	0.49	0.06
○__GI___qsort_r	libc.so.6	0.16	0.14	0.16	0.12	0.11	0.09	0.07	0.46	0.2	0.15	0.07	0.05	0.04	0.04	0.44	0.19	0.11	0.05	0.02	0.01	0.01	2	4	8	16	32	59	81	0.01	0.01	0.03	0.04	0.05	0.05	0.05	0.02	0.01	0.02	0.02	0.01	0.01	0.01	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	Others (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1.16	0	1	0	1.1	0	1.38	0	1.38	0	0.92	0.01
○sortAtomsById	exec	0.16	0.18	0.18	0.16	0.13	0.1	0.1	0.43	0.26	0.19	0.09	0.05	0.07	0.04	0.43	0.24	0.13	0.06	0.03	0.02	0.01	2	4	8	16	32	61	94	0.00	0.01	0.05	0.05	0.05	0.06	0.05	0.01	0.02	0.04	0.02	0.01	0.01	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	0.9	0.02	0.83	0.03	0.9	0.02	0.9	0.01	0.67	0.03	0.9	0.01
►loadAtomsBuffer+	exec	0.1	0.1	0.11	0.09	0.08	0.06	0.04	0.32	0.31	0.36	0.28	0.28	0.3	0.28	0.28	0.13	0.08	0.03	0.02	0.01	0.01	2	2	2	2	2	2	2	0.02	0.04	0.09	0.03	0.05	0.10	0.05	0.06	0.06	0.06	0.01	0.01	0.01	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.53	1.11	1.93	5.05	7.10	14.10	14.85	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1.08	0	0.88	0.01	1.17	0	0.88	0.01	0.88	0.01	0.58	0.02
►Loop 44 - haloExchange.c:376-389 - exec+		0.01	0.01	0.01	0	0.01	0	0	0.03	0.02	0.02	0.01	0.02	0.02	0.02	0.03	0.01	0	0	0	0	0	2	2	2	2	2	2	2	0.00	0.00	0.01	0.01	0.02	0.05	0.03	0.01	0.00	0.00	0.00	0.00	0.01	0.00								0.32	1.00	0.00	0.00	0.00	0.00	0.00		1	0	1.5	0	1	0	1	0	1	0	1	0	1	0
○Loop 45 - haloExchange.c:380-389 - exec		0.09	0.09	0.11	0.09	0.08	0.05	0.04	0.29	0.29	0.34	0.27	0.26	0.27	0.27	0.25	0.13	0.07	0.03	0.02	0.01	0.01	2	2	2	2	2	2	2	0.02	0.04	0.10	0.02	0.06	0.05	0.08	0.05	0.06	0.07	0.01	0.01	0.01	0.01								0.56	1.03	1.99	4.82	6.48	13.45	13.40		1	0	0.96	0	0.89	0.01	1.04	-0	0.78	0.02	0.78	0.01	0.52	0.02
○impi_pause	libmpi.so.12.0.0	0.06	0.04	0.05	0.04	0.02	0.05	0.04	0.34	0.14	0.17	0.17	0.14	0.26	0.37	0.17	0.05	0.03	0.01	0.01	0.01	0.01	2	2	2	2	2	2	2	0.09	0.04	0.08	0.23	0.41	0.34	0.79	0.24	0.06	0.05	0.08	0.08	0.05	0.11	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1.7	0	1.42	0	2.13	0	1.06	-0	0.53	0.02	0.35	0.03
►kineticEnergy.extracted+	exec	0.05	0.04	0.06	0.06	0.07	0.1	0.16	0.13	0.07	0.05	0.04	0.03	0.03	0.04	0.13	0.06	0.04	0.02	0.01	0.02	0.02	2	4	8	16	32	64	95	0.00	0.01	0.01	0.02	0.03	0.03	0.05	0.00	0.01	0.01	0.01	0.01	0.01	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	4.15	8.99	13.94	32.60	97.45	27.38	16.20	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1.08	-0	0.81	0.01	0.81	0.01	0.81	0.01	0.2	0.08	0.14	0.14
►Loop 98 - timestep.c:107-116 - exec+		0	0	0.02	0.01	0.01	0.02	0.02	0.01	0.01	0.02	0.01	0.01	0.01	0.01	0.01	0.01	0.01	0	0	0	0	2	4	8	15	32	47	50	0.00	0.00	0.01	0.01	0.01	0.03	0.02	0.00	0.00	0.01	0.00	0.00	0.00	0.00								22.25	20.75	22.90	0.00	0.00	0.00	0.00
○Loop 99 - timestep.c:110-116 - exec		0.04	0.04	0.04	0.05	0.06	0.08	0.14	0.12	0.06	0.05	0.03	0.03	0.03	0.04	0.12	0.06	0.03	0.02	0.01	0.01	0.02	2	4	8	16	32	64	95	0.00	0.00	0.01	0.02	0.03	0.04	0.05	0.00	0.00	0.01	0.01	0.01	0.01	0.01								2.65	5.53	10.95	21.68	52.60	36.55	10.50		1	0	1	0	1	0	0.75	0.01	0.75	0.01	0.38	0.05	0.13	0.12
►gasdev+	exec	0.04	0.04	0.04	0.03	0.03	0.02	0.02	0.12	0.06	0.03	0.02	0.01	0.01	0.01	0.12	0.05	0.03	0.01	0.01	0	0	2	4	8	16	32	64	96	0.00	0.01	0.01	0.02	0.02	0.02	0.02	0.01	0.02	0.00	0.01	0.00	0.00	0.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	2.19	5.42	8.77	24.00	27.45	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1.2	0	1	0	1.5	0	0.75	0.01	1	0	1	0
○Loop 89 - random.c:27-48 - exec [...]		0.02	0.02	0.02	0.01	0.01	0.01	0.01	0.06	0.04	0.02	0.02	0.01	0.01	0	0.06	0.03	0.01	0	0	0	0	2	4	8	16	32	58	79	0.00	0.01	0.01	0.01	0.02	0.02	0.02	0.00	0.01	0.01	0.00	0.00	0.00	0.00								1.36	2.45	7.05	0.00	0.00	0.00	0.00		1	0	1	0	1.5	0	1	0	1	0	1	0	1	0
○I_MPI_memcpy_nontemporal_avx512	libmpi.so.12.0.0	0.03	0.02	0.02	0.01	0.02	0.01	0.01	0.09	0.05	0.05	0.05	0.07	0.04	0.08	0.07	0.02	0.01	0	0	0	0	2	2	2	2	2	2	2	0.01	0.00	0.00	0.08	0.10	0.02	0.18	0.02	0.00	0.00	0.03	0.02	0.00	0.02	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1.75	0	1.75	0	1	0	1	0	1	0	1	0
○unknown_kernel_region	kernel	0.03	0.05	0.06	0.06	0.07	0.09	0.13	0.09	0.13	0.14	0.11	0.11	0.08	0.16	0.08	0.07	0.04	0.02	0.02	0.01	0.02	2	4	8	16	29	61	92	0.01	0.03	0.07	0.08	0.10	0.09	0.15	0.02	0.04	0.05	0.03	0.02	0.01	0.02	MPI (%): 53.34 System (%): 46.66	System (%): 63.66 MPI (%): 36.34	System (%): 61.76 MPI (%): 38.24	System (%): 69.33 MPI (%): 29.33 OMP (%): 1.33	System (%): 82.66 MPI (%): 16.32 OMP (%): 1.02	System (%): 90.32 MPI (%): 9.68	System (%): 88.04 MPI (%): 11.41 OMP (%): 0.54	0.24	0.25	0.58	1.40	1.13	2.85	1.30		1	0	0.57	0.02	0.5	0.03	0.5	0.03	0.25	0.05	0.25	0.07	0.08	0.12
○I_MPI_memcpy_multipage_avx512	libmpi.so.12.0.0	0.03	0.03	0.02	0.03	0.03	0.01	0.01	0.12	0.1	0.07	0.1	0.1	0.07	0.09	0.09	0.04	0.02	0.01	0.01	0	0	2	2	2	2	2	2	2	0.02	0.02	0.02	0.00	0.07	0.05	0.13	0.05	0.02	0.01	0.00	0.01	0.01	0.02	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1.13	-0	1.13	-0	1.13	-0	0.56	0.01	1	0	1	0
○mkSeed	exec	0.02	0.02	0.02	0.01	0.02	0.01	0.01	0.04	0.04	0.03	0.01	0.01	0.01	0.01	0.05	0.03	0.02	0.01	0	0	0	2	4	8	16	32	64	92	0.00	0.01	0.01	0.01	0.02	0.02	0.02	0.00	0.01	0.01	0.00	0.00	0.00	0.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	2.18	3.82	5.60	11.55	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	0.83	0	0.63	0.01	0.63	0	1	0	1	0	1	0
○getBoxFromTuple	exec	0.02	0.01	0.01	0.01	0.01	0.01	0.01	0.05	0.04	0.04	0.05	0.05	0.06	0.08	0.05	0.02	0.01	0.01	0	0	0	2	2	2	2	2	2	2	0.00	0.01	0.01	0.06	0.00	0.09	0.13	0.01	0.01	0.01	0.02	0.00	0.01	0.02	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.24	3.98	7.35	6.20	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1.25	-0	1.25	-0	0.63	0	1	0	1	0	1	0
○impi_reduce_local_11way	libmpi.so.12.0.0	0.02	0.02	0.01	0.01	0.01	0.01	0	0.07	0.05	0.03	0.04	0.05	0.05	0.02	0.05	0.02	0.01	0	0	0	0	2	2	2	2	2	2	2	0.01	0.01	0.01	0.01	0.07	0.05	0.03	0.02	0.01	0.01	0.00	0.01	0.01	0.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	MPI (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1.25	0	1.25	-0	1	0	1	0	1	0	1	0
○__libm_log_z0	exec	0.02	0.02	0.01	0.01	0.01	0.01	0	0.04	0.03	0.01	0.01	0.01	0.01	0	0.04	0.03	0.01	0.01	0	0	0	2	4	8	16	32	61	73	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.01	0.00	0.00	0.01	0.00	0.00	0.00	Math (%): 100.00	Math (%): 100.00	Math (%): 100.00	Math (%): 100.00	Math (%): 100.00	Math (%): 100.00	Math (%): 100.00	1.60	2.10	6.75	8.25	0.00	0.00	0.00		1	0	0.67	0.01	1	0	0.5	0.01	1	0	1	0	1	0
►randomDisplacements.extracted+	exec	0.01	0.01	0.01	0	0.01	0.02	0.02	0.03	0.01	0.02	0	0.01	0.01	0.01	0.02	0.01	0.01	0	0	0	0	2	4	8	14	26	53	71	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.00	0.00	0.01	0.00	0.00	0.00	0.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.98	1.15	1.25	0.00	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...
►Loop 71 - initAtoms.c:194-202 - exec+		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	1	1	1	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00								0.00	0.00	0.00	0.00	0.00	0.00	0.00
○Loop 72 - initAtoms.c:197-202 - exec		0.01	0.01	0.01	0	0.01	0.02	0.02	0.03	0.01	0.02	0	0.01	0.01	0.01	0.02	0.01	0.01	0	0	0	0	2	4	8	14	26	53	70	0.00	0.00	0.01	0.01	0.02	0.01	0.01	0.00	0.00	0.01	0.00	0.00	0.00	0.00								0.90	1.15	1.25	0.00	0.00	0.00	0.00
►unloadAtomsBuffer+	exec	0.01	0.01	0	0	0.01	0	0	0.03	0.04	0.02	0.02	0.03	0.03	0.03	0.02	0.01	0	0	0	0	0	2	2	2	2	2	2	2	0.01	0.01	0.02	0.03	0.05	0.07	0.10	0.02	0.02	0.01	0.01	0.01	0.01	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.18	0.50	0.00	0.00	0.00	0.00	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/CoMD/CoMD/src-openmp -I /home/eoseret/qaas_runs_CPU_9468/171-148-3214/intel/CoMD/build/icx_2 -I /cluster/...	1	0	1	0	1	0	1	0	1	0	1	0	1	0
○Loop 46 - haloExchange.c:414-424 - exec		0.01	0.01	0	0	0.01	0	0	0.03	0.04	0.02	0.02	0.03	0.02	0.03	0.02	0.01	0	0	0	0	0	2	2	2	2	2	2	2	0.01	0.01	0.02	0.03	0.05	0.05	0.10	0.02	0.02	0.01	0.01	0.01	0.01	0.01								0.18	0.50	0.00	0.00	0.00	0.00	0.00		1	0	1	0	1	0	1	0	1	0	1	0	1	0
○.plt.sec@start	libc.so.6	0.01	0.01	0.02	0.01	0.01	0.01	0.01	0.03	0.01	0.03	0.01	0.01	0.01	0	0.02	0.01	0.01	0	0	0	0	2	4	8	10	9	18	17	0.00	0.00	0.01	0.01	0.01	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	System (%): 100.00	System (%): 100.00	System (%): 100.00	System (%): 100.00	System (%): 100.00	System (%): 100.00	System (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0	libiomp5.so	0	0.1	0.07	0.06	0.07	0.13	0.24	0	0.28	0.22	0.13	0.12	0.26	0.41	0	0.14	0.05	0.02	0.02	0.02	0.03	0	2	2	4	8	16	27	0.00	0.01	0.03	0.10	0.15	0.40	0.93	0.00	0.01	0.02	0.04	0.03	0.06	0.13	NA	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1	0	1	0	1	0	1	0	1	0	1	0
○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_	libiomp5.so	0	0.02	0.05	0.38	0.38	2.29	1.85	0	0.06	0.22	0.53	0.4	1.68	1.44	0	0.03	0.03	0.14	0.08	0.36	0.26	0	2	2	8	16	22	41	0.00	0.01	0.16	0.63	0.69	3.97	3.37	0.00	0.01	0.11	0.24	0.15	0.61	0.48	NA	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1	0	1	0	1	0	1	0	1	0	1	0
○_ZN15kmp_flag_nativeIyL9flag_type1ELb1EE13notdone_checkEv	libiomp5.so	0	0.03	0.07	0.13	0.28	0.51	0.56	0	0.09	0.08	0.09	0.09	0.15	0.16	0	0.04	0.05	0.05	0.06	0.08	0.08	0	3	7	15	30	64	96	0.00	0.03	0.03	0.07	0.09	0.15	0.17	0.00	0.04	0.02	0.02	0.02	0.02	0.02	NA	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1	0	1	0	1	0	1	0	1	0	1	0
○_ZN17_INTERNAL021345c119__kmp_wait_templateI11kmp_flag_64ILb0ELb1EELb1ELb0ELb1EEEbP8kmp_infoPT_Pv	libiomp5.so	0	1.57	4.48	9.98	18.54	31.18	38.96	0	4.27	4.24	4.75	4.48	6.37	6.98	0	2.14	3.14	3.75	3.94	4.87	5.59	0	2	6	14	30	62	94	0.00	0.02	0.09	0.73	0.83	4.33	4.05	0.00	0.02	0.06	0.27	0.18	0.67	0.58	NA	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	OMP (%): 100.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	1	0	1	0	1	0	1	0	1	0	1	0

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