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> /usr/bin/numactl -m 8-15Dataset: Run Directory: /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/run/oneview_runs/compilers/icx_9/oneview_run_1711106847I_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	94.01	92.36	89.7	84.33	75.65	54.55	45.01	242.57	121.58	60.9	30.75	15.48	9.83	7.78	242.55	121.7	60.94	30.5	15.27	8.99	6.87	2	4	8	16	32	64	96	0.01	0.13	0.13	0.74	0.84	4.06	3.49	0.19	0.09	0.04	0.23	0.15	0.68	0.54	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	8.63	17.21	34.36	68.66	137.14	232.94	304.83	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1	0.32	1	0.45	0.99	0.5	0.99	0.55	0.84	8.56	0.74	11.9
►Loop 90 - ljForce.c:172-216 - exec [...]+		0.02	0.04	0.02	0.03	0.02	0.02	0.02	0.06	0.08	0.03	0.02	0.02	0.01	0.02	0.05	0.05	0.01	0.01	0	0	0	2	4	8	16	32	64	96	0.00	0.02	0.01	0.02	0.03	0.02	0.02	0.01	0.02	0.01	0.01	0.01	0.00	0.00								14.79	15.26	75.35	77.30	0.00	0.00	0.00		1	0	0.5	0.02	1.25	0	0.63	0.01	1	0	1	0	1	0
►Loop 91 - ljForce.c:178-216 - exec [...]+		0.42	0.41	0.38	0.36	0.36	0.25	0.21	1.08	0.59	0.33	0.18	0.1	0.08	0.06	1.08	0.54	0.26	0.13	0.07	0.04	0.03	2	4	8	16	32	64	96	0.00	0.04	0.08	0.09	0.08	0.09	0.08	0.00	0.05	0.06	0.03	0.02	0.01	0.01								11.89	24.46	49.77	99.34	188.32	326.07	436.25		1	0	1	0	1.04	0	1.04	0	0.96	0.01	0.84	0.04	0.75	0.05
►Loop 92 - ljForce.c:187-216 - exec [...]+		0.99	0.96	0.94	0.86	0.78	0.55	0.47	2.61	1.31	0.69	0.37	0.2	0.16	0.12	2.55	1.26	0.64	0.31	0.16	0.09	0.07	2	4	8	16	32	64	96	0.03	0.03	0.06	0.09	0.11	0.15	0.14	0.09	0.04	0.04	0.03	0.02	0.02	0.02								12.51	25.41	49.98	103.34	199.16	354.47	457.76		1	0	1.01	0	1	0	1.03	0	1	0	0.89	0.06	0.76	0.11
○Loop 93 - ljForce.c:191-216 - exec [...]		92.58	90.96	88.36	83.08	74.49	53.72	44.31	238.84	119.78	59.99	30.31	15.26	9.7	7.68	238.88	119.86	60.03	30.05	15.03	8.85	6.76	2	4	8	16	32	64	96	0.02	0.13	0.20	0.74	0.85	4.00	3.48	0.12	0.10	0.07	0.23	0.15	0.66	0.53								8.58	17.09	34.12	68.17	136.28	231.46	303.00		1	0	1	0.32	0.99	0.46	0.99	0.53	0.99	0.5	0.84	8.41	0.74	11.69
►advanceVelocity.extracted+	exec	1.37	1.42	1.44	1.44	1.53	2.82	4.53	3.55	1.95	1.07	0.55	0.34	0.63	0.94	3.54	1.87	0.98	0.52	0.31	0.46	0.69	2	4	8	16	32	64	96	0.00	0.07	0.08	0.06	0.12	0.65	1.28	0.01	0.09	0.05	0.02	0.02	0.11	0.19	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.36	2.57	4.90	9.22	15.47	10.43	6.95	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	0.95	0.08	0.9	0.14	0.85	0.21	0.71	0.44	0.24	2.14	0.11	4.05
►Loop 100 - timestep.c:71-78 - exec+		0.04	0.06	0.04	0.03	0.03	0.07	0.12	0.1	0.11	0.04	0.02	0.01	0.03	0.07	0.1	0.08	0.02	0.01	0.01	0.01	0.02	2	4	8	16	32	64	96	0.00	0.02	0.02	0.02	0.03	0.05	0.08	0.00	0.02	0.01	0.01	0.01	0.01	0.01								2.78	3.53	11.83	24.25	22.40	29.85	12.88		1	0	0.63	0.02	1.25	0	1.25	0	0.63	0.01	0.31	0.05	0.1	0.11
○Loop 101 - timestep.c:74-78 - exec		1.33	1.36	1.41	1.4	1.5	2.75	4.41	3.45	1.88	1.04	0.54	0.34	0.62	0.94	3.44	1.79	0.96	0.51	0.3	0.45	0.67	2	4	8	16	32	64	96	0.00	0.06	0.08	0.07	0.12	0.63	1.27	0.01	0.08	0.05	0.03	0.02	0.10	0.19								1.31	2.52	4.75	8.92	15.23	10.00	6.77		1	0	0.96	0.05	0.9	0.15	0.84	0.22	0.72	0.42	0.24	2.09	0.11	3.94
►sortAtomsInCell+	exec	1.23	1.29	1.28	1.24	1.34	3.07	4.31	3.18	1.77	0.94	0.52	0.3	0.64	0.88	3.16	1.7	0.87	0.45	0.27	0.51	0.66	2	4	8	16	32	64	96	0.01	0.05	0.06	0.09	0.10	0.59	1.02	0.03	0.07	0.04	0.03	0.02	0.10	0.15	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_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	0.93	0.09	0.91	0.12	0.88	0.15	0.73	0.36	0.19	2.48	0.1	3.88
○Loop 59 - haloExchange.c:621-629 - exec		1.14	1.2	1.19	1.17	1.27	3	4.21	2.98	1.69	0.89	0.5	0.3	0.62	0.87	2.95	1.59	0.81	0.42	0.26	0.49	0.64	2	4	8	16	32	64	96	0.02	0.07	0.07	0.10	0.10	0.58	0.99	0.04	0.09	0.05	0.03	0.02	0.09	0.15								0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.93	0.09	0.91	0.11	0.88	0.14	0.71	0.37	0.19	2.44	0.1	3.81
○Loop 60 - haloExchange.c:633-642 - exec		0.07	0.07	0.07	0.06	0.06	0.05	0.04	0.17	0.11	0.07	0.05	0.02	0.03	0.02	0.17	0.1	0.05	0.02	0.01	0.01	0.01	2	4	8	16	29	51	68	0.00	0.02	0.02	0.03	0.03	0.03	0.03	0.00	0.02	0.02	0.01	0.01	0.01	0.01								0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.85	0.01	0.85	0.01	1.06	-0	1.06	-0	0.53	0.02	0.35	0.03
►updateLinkCells+	exec	0.8	0.78	0.77	0.74	0.65	0.42	0.3	2.08	2.08	2.09	2.19	2.14	2.33	2.19	2.06	1.03	0.52	0.27	0.13	0.07	0.05	2	2	2	2	2	2	2	0.01	0.01	0.01	0.29	0.38	0.98	0.06	0.02	0.01	0.01	0.10	0.08	0.15	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.18	2.35	4.66	8.99	18.65	34.64	48.47	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1	0	0.99	0.01	0.95	0.03	0.99	0.01	0.92	0.03	0.86	0.04
►Loop 84 - linkCells.c:209-371 - exec [...]+		0.01	0.01	0.01	0.01	0.01	0	0	0.03	0.03	0.01	0.02	0.03	0.01	0.02	0.03	0.02	0	0	0	0	0	2	2	2	2	2	2	2	0.00	0.00	0.00	0.01	0.02	0.02	0.02	0.00	0.00	0.00	0.00	0.00	0.00	0.00								2.55	3.75	0.00	0.00	0.00	0.00	0.00		1	0	0.75	0	1	0	1	0	1	0	1	0	1	0
○Loop 85 - linkCells.c:209-371 - exec [...]		0.79	0.77	0.76	0.73	0.64	0.42	0.3	2.05	2.05	2.07	2.17	2.11	2.32	2.17	2.03	1.02	0.52	0.26	0.13	0.07	0.05	2	2	2	2	2	2	2	0.01	0.02	0.01	0.30	0.37	0.96	0.08	0.02	0.02	0.01	0.10	0.07	0.15	0.00								1.16	2.30	4.53	9.00	18.11	33.62	47.03		1	0	1	0	0.98	0.02	0.98	0.02	0.98	0.02	0.91	0.04	0.85	0.05
►advancePosition.extracted+	exec	0.73	0.74	0.75	0.74	0.82	1.72	2.63	1.9	1.02	0.53	0.31	0.19	0.39	0.54	1.87	0.98	0.51	0.27	0.17	0.28	0.4	2	4	8	16	32	64	96	0.02	0.03	0.02	0.07	0.08	0.37	0.65	0.04	0.04	0.02	0.03	0.02	0.06	0.10	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.50	2.86	5.49	10.39	16.57	9.98	6.93	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	0.95	0.03	0.92	0.06	0.87	0.1	0.69	0.26	0.21	1.36	0.1	2.37
►Loop 102 - timestep.c:85-94 - exec+		0.03	0.03	0.03	0.02	0.02	0.04	0.06	0.08	0.04	0.03	0.01	0.02	0.02	0.04	0.07	0.04	0.02	0.01	0	0.01	0.01	2	4	8	16	32	64	96	0.01	0.01	0.01	0.01	0.03	0.04	0.05	0.02	0.01	0.01	0.00	0.01	0.01	0.01								2.52	4.40	8.05	17.30	0.00	18.60	20.00		1	0	0.88	0	0.88	0	0.88	0	1	0	0.22	0.03	0.15	0.05
○Loop 103 - timestep.c:88-94 - exec		0.7	0.72	0.72	0.72	0.8	1.67	2.57	1.84	0.99	0.51	0.31	0.19	0.39	0.53	1.81	0.94	0.49	0.26	0.16	0.28	0.39	2	4	8	16	32	64	96	0.02	0.04	0.03	0.07	0.08	0.37	0.64	0.06	0.05	0.02	0.03	0.02	0.06	0.10								1.45	2.79	5.39	10.12	16.62	9.31	6.59		1	0	0.96	0.03	0.92	0.06	0.87	0.09	0.71	0.23	0.2	1.33	0.1	2.32
○msort_with_tmp.part.0	libc.so.6	0.35	0.33	0.29	0.3	0.28	0.2	0.16	0.94	0.44	0.22	0.16	0.09	0.06	0.04	0.9	0.43	0.2	0.11	0.06	0.03	0.02	2	4	8	16	32	64	95	0.02	0.02	0.03	0.07	0.08	0.06	0.07	0.06	0.02	0.02	0.02	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	1.05	0	1.13	0	1.02	0	0.94	0.02	0.94	0.01	0.94	0.01
►ljForce.extracted.25+	exec	0.31	0.34	0.34	0.38	0.63	4.95	5.49	0.84	0.5	0.27	0.19	0.16	0.98	1.1	0.81	0.44	0.23	0.14	0.13	0.82	0.84	2	4	8	16	32	64	96	0.02	0.04	0.04	0.08	0.09	0.54	1.08	0.05	0.06	0.03	0.03	0.02	0.09	0.16	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_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	0.92	0.03	0.88	0.04	0.72	0.11	0.39	0.38	0.03	4.8	0.02	5.38
○Loop 89 - ljForce.c:157-158 - exec [...]		0.31	0.34	0.34	0.38	0.62	4.95	5.49	0.84	0.5	0.27	0.19	0.16	0.98	1.1	0.81	0.44	0.23	0.14	0.13	0.82	0.84	2	4	8	16	32	64	96	0.02	0.04	0.04	0.08	0.09	0.54	1.08	0.05	0.06	0.03	0.03	0.02	0.09	0.16								0.00	0.00	0.00	0.00	0.00	0.00	0.00		1	0	0.92	0.03	0.88	0.04	0.72	0.11	0.39	0.38	0.03	4.8	0.02	5.38
○Loop 88 - 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
○__memcpy_avx512_unaligned_erms	libc.so.6	0.18	0.17	0.19	0.15	0.14	0.13	0.12	0.53	0.27	0.15	0.07	0.06	0.05	0.06	0.47	0.23	0.13	0.06	0.03	0.02	0.02	2	4	8	16	32	63	91	0.03	0.02	0.03	0.04	0.06	0.06	0.08	0.09	0.03	0.02	0.01	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	1.02	-0	0.9	0.02	0.98	0	0.98	0	0.73	0.03	0.49	0.06
○sortAtomsById	exec	0.17	0.16	0.17	0.14	0.12	0.09	0.09	0.51	0.26	0.14	0.08	0.05	0.04	0.03	0.45	0.21	0.12	0.05	0.02	0.02	0.01	2	4	8	16	32	62	92	0.04	0.03	0.02	0.04	0.05	0.05	0.05	0.10	0.05	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	0.00	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_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1.07	0	0.94	0.01	1.13	0	1.41	0	0.7	0.03	0.94	0.01
○putAtomInBox	exec	0.16	0.16	0.15	0.15	0.13	0.1	0.07	0.46	0.46	0.43	0.45	0.45	0.55	0.5	0.43	0.21	0.1	0.05	0.03	0.02	0.01	2	2	2	2	2	2	2	0.02	0.05	0.05	0.06	0.28	0.18	0.07	0.06	0.06	0.04	0.02	0.06	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	0.50	1.10	2.15	4.14	6.95	10.85	23.15	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1.02	-0	1.07	0	1.07	0	0.9	0.01	0.67	0.03	0.9	0.01
○__GI___qsort_r	libc.so.6	0.14	0.13	0.12	0.1	0.11	0.07	0.07	0.41	0.2	0.11	0.06	0.04	0.03	0.04	0.37	0.17	0.08	0.04	0.02	0.01	0.01	2	4	8	16	32	59	82	0.03	0.02	0.02	0.03	0.04	0.05	0.05	0.07	0.03	0.01	0.01	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	1.09	0	1.16	0	1.16	0	1.16	0	1.16	0	0.77	0.02
►loadAtomsBuffer+	exec	0.13	0.12	0.11	0.1	0.1	0.05	0.05	0.33	0.33	0.3	0.33	0.32	0.3	0.42	0.33	0.16	0.07	0.04	0.02	0.01	0.01	2	2	2	2	2	2	2	0.00	0.02	0.04	0.11	0.11	0.16	0.70	0.01	0.02	0.03	0.04	0.02	0.02	0.11	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	0.47	1.06	2.13	3.95	8.48	15.95	14.30	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1.03	-0	1.18	0	1.03	-0	1.03	-0	1.03	-0	0.69	0.02
►Loop 46 - haloExchange.c:376-389 - exec+		0.01	0.01	0.01	0	0	0	0	0.02	0.03	0.03	0.01	0.01	0.02	0.01	0.02	0.01	0	0	0	0	0	2	2	2	2	2	2	2	0.00	0.01	0.03	0.00	0.02	0.00	0.02	0.01	0.01	0.02	0.00	0.00	0.00	0.00								0.65	1.20	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 47 - haloExchange.c:380-389 - exec		0.12	0.11	0.1	0.1	0.09	0.05	0.05	0.31	0.3	0.3	0.32	0.31	0.28	0.41	0.31	0.14	0.07	0.04	0.02	0.01	0.01	2	2	2	2	2	2	2	0.00	0.01	0.07	0.11	0.09	0.16	0.68	0.00	0.02	0.05	0.04	0.02	0.02	0.10								0.46	1.12	2.01	3.65	7.93	15.50	13.30		1	0	1.11	0	1.11	0	0.97	0	0.97	0	0.97	0	0.65	0.02
►__intel_avx_rep_memset+	exec	0.1	0.13	0.12	0.12	0.19	0.43	0.58	0.28	0.2	0.1	0.06	0.07	0.2	0.22	0.25	0.18	0.08	0.04	0.04	0.07	0.09	2	4	8	16	32	64	96	0.02	0.02	0.02	0.04	0.08	0.24	0.34	0.05	0.02	0.01	0.01	0.02	0.04	0.05	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	0.69	0.04	0.78	0.03	0.78	0.03	0.39	0.12	0.11	0.38	0.06	0.55
○Loop 128 - - 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
►kineticEnergy.extracted+	exec	0.06	0.06	0.05	0.05	0.07	0.15	0.2	0.15	0.08	0.05	0.03	0.03	0.04	0.05	0.15	0.07	0.04	0.02	0.02	0.02	0.03	2	4	8	16	32	64	96	0.00	0.01	0.02	0.02	0.03	0.06	0.07	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	2.84	6.12	10.90	20.85	18.75	21.45	14.45	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1.07	-0	0.94	0	0.94	0	0.47	0.04	0.23	0.11	0.1	0.18
►Loop 97 - timestep.c:107-116 - exec+		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	4	7	10	16	18	23	0.00	0.00	0.00	0.00	0.01	0.01	0.02	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 99 - timestep.c:110-116 - exec		0.05	0.06	0.05	0.05	0.07	0.14	0.19	0.13	0.08	0.05	0.03	0.03	0.04	0.05	0.14	0.07	0.03	0.02	0.01	0.02	0.03	2	4	8	16	32	64	96	0.00	0.01	0.02	0.02	0.03	0.06	0.07	0.00	0.01	0.01	0.01	0.01	0.01	0.01								2.56	4.79	12.03	17.28	32.00	17.70	12.35		1	0	1	0	1.17	0	0.88	0.01	0.88	0.01	0.22	0.11	0.1	0.17
○Loop 98 - timestep.c:110-116 - exec		0	0	0	0	0	0	0.01	0.01	0	0	0	0	0.01	0.01	0.01	0	0	0	0	0	0	2	4	8	13	16	27	32	0.00	0.00	0.00	0.01	0.01	0.02	0.02	0.00	0.00	0.00	0.00	0.00	0.00	0.00								2.70	0.00	0.00	0.00	0.00	0.00	0.00
►setTemperature.extracted.30+	exec	0.05	0.05	0.05	0.04	0.04	0.03	0.02	0.14	0.07	0.05	0.02	0.01	0.01	0.01	0.14	0.07	0.03	0.02	0.01	0	0	2	4	8	16	32	64	96	0.00	0.00	0.01	0.02	0.02	0.01	0.02	0.00	0.00	0.01	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	3.01	5.98	14.13	20.08	40.75	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_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1	0	1.17	0	0.88	0	0.88	0	1	0	1	0
►Loop 69 - initAtoms.c:151-162 - exec [...]+		0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	1	2	0.00	0.00	0.00	0.00	0.00	0.00	0.02	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 73 - initAtoms.c:154-162 - exec [...]+		0.03	0.04	0.04	0.02	0.02	0.02	0.01	0.08	0.06	0.05	0.02	0.01	0.01	0.01	0.08	0.05	0.02	0.01	0	0	0	2	4	8	16	32	64	96	0.00	0.00	0.02	0.02	0.02	0.02	0.01	0.00	0.01	0.01	0.01	0.00	0.00	0.00								4.77	7.56	19.05	36.25	0.00	0.00	0.00		1	0	0.8	0.01	1	0	1	0	1	0	1	0	1	0
○Loop 70 - random.c:27-48 - exec [...]		0.01	0.01	0.01	0.02	0.01	0.01	0	0.03	0.02	0.02	0.01	0.01	0.01	0.01	0.03	0.02	0.01	0.01	0	0	0	2	4	8	14	25	27	17	0.00	0.00	0.01	0.01	0.01	0.01	0.02	0.00	0.00	0.01	0.01	0.00	0.00	0.00								0.28	0.50	0.75	0.65	0.00	0.00	0.00		1	0	0.75	0	0.75	0	0.38	0.01	1	0	1	0	1	0
○Loop 71 - random.c:27-48 - exec [...]		0.01	0	0	0	0	0	0	0.02	0	0	0	0.01	0	0	0.02	0	0	0	0	0	0	2	4	8	9	18	15	21	0.00	0.00	0.00	0.01	0.01	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	0.00								0.43	0.00	0.00	0.00	0.00	0.00	0.00
○Loop 72 - random.c:27-48 - exec [...]		0	0	0	0	0	0	0	0.01	0	0	0	0	0.01	0	0.01	0	0	0	0	0	0	2	4	8	15	26	35	36	0.00	0.00	0.00	0.00	0.01	0.01	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00								2.15	0.00	0.00	0.00	0.00	0.00	0.00
○impi_pause	libmpi.so.12.0.0	0.03	0.03	0.02	0.04	0.04	0.04	0.02	0.08	0.11	0.05	0.2	0.14	0.3	0.22	0.07	0.05	0.01	0.01	0.01	0.01	0	2	2	2	2	2	2	2	0.00	0.03	0.01	0.35	0.12	1.00	0.87	0.01	0.04	0.01	0.13	0.02	0.16	0.13	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	0.7	0.01	1.75	0	0.88	0	0.44	0.02	0.22	0.03	1	0
○unknown_kernel_region	kernel	0.03	0.04	0.04	0.04	0.06	0.11	0.15	0.08	0.09	0.07	0.06	0.1	0.16	0.16	0.07	0.05	0.03	0.02	0.01	0.02	0.02	2	4	8	16	28	59	93	0.01	0.03	0.04	0.05	0.11	0.14	0.12	0.02	0.04	0.03	0.02	0.02	0.02	0.02	MPI (%): 62.96 System (%): 37.04	MPI (%): 62.50 System (%): 37.50	System (%): 55.32 MPI (%): 44.68	System (%): 84.62 MPI (%): 15.38	System (%): 76.25 MPI (%): 23.75	System (%): 81.20 MPI (%): 18.80	System (%): 93.22 MPI (%): 6.55 OMP (%): 0.23	0.32	0.24	0.42	1.03	2.35	0.90	1.38		1	0	0.7	0.01	0.58	0.02	0.44	0.02	0.44	0.03	0.11	0.1	0.07	0.14
►randomDisplacements.extracted+	exec	0.03	0.03	0.03	0.02	0.02	0.03	0.02	0.07	0.04	0.02	0.01	0.01	0.01	0.01	0.07	0.04	0.02	0.01	0.01	0.01	0	2	4	8	16	32	64	54	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.00	0.00	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	0.69	1.20	2.40	4.80	4.80	1.55	0.00	clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) --intel -I /home/eoseret/qaas_runs_CPU_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	0.88	0	0.88	0	0.88	0	0.44	0.01	0.22	0.02	1	0
►Loop 76 - 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	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
○Loop 77 - initAtoms.c:197-202 - exec [...]		0.03	0.03	0.03	0.02	0.02	0.03	0.02	0.07	0.04	0.02	0.01	0.01	0.01	0.01	0.07	0.04	0.02	0.01	0.01	0.01	0	2	4	8	16	32	64	54	0.00	0.00	0.00	0.01	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.00	0.00								0.69	1.20	2.40	4.80	4.80	1.55	0.00		1	0	0.88	0	0.88	0	0.88	0	0.44	0.01	0.22	0.02	1	0
○I_MPI_memcpy_nontemporal_avx512	libmpi.so.12.0.0	0.02	0.02	0.02	0.01	0.01	0.01	0.01	0.05	0.08	0.06	0.04	0.05	0.07	0.08	0.05	0.03	0.01	0	0	0	0	2	2	2	2	2	2	2	0.00	0.03	0.02	0.03	0.05	0.09	0.08	0.00	0.04	0.01	0.01	0.01	0.01	0.01	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	0.83	0	1.25	0	1	0	1	0	1	0	1	0
○I_MPI_memcpy_multipage_avx512	libmpi.so.12.0.0	0.02	0.03	0.02	0.02	0.02	0.01	0.01	0.07	0.08	0.07	0.07	0.08	0.07	0.06	0.06	0.04	0.01	0.01	0	0	0	2	2	2	2	2	2	2	0.01	0.01	0.02	0.02	0.07	0.04	0.17	0.02	0.01	0.01	0.01	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	0.75	0.01	1.5	0	0.75	0.01	1	0	1	0	1	0
○__libm_log_l9	exec	0.02	0.02	0.02	0.01	0.01	0	0	0.04	0.03	0.02	0.01	0.01	0.01	0.01	0.05	0.02	0.01	0	0	0	0	2	4	8	16	31	54	61	0.00	0.00	0.01	0.01	0.02	0.01	0.01	0.00	0.00	0.01	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	1.13	2.88	4.80	0.00	0.00	0.00	0.00		1	0	1.25	0	1.25	0	1	0	1	0	1	0	1	0
►unloadAtomsBuffer+	exec	0.01	0.01	0.01	0.01	0.01	0.01	0	0.02	0.03	0.03	0.03	0.04	0.03	0.01	0.02	0.01	0.01	0	0	0	0	2	2	2	2	2	2	2	0.00	0.01	0.01	0.01	0.05	0.02	0.02	0.00	0.01	0.00	0.00	0.01	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	0.20	0.80	1.10	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_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	1	0	0.5	0.01	1	0	1	0	1	0	1	0
○Loop 48 - haloExchange.c:414-424 - exec		0.01	0.01	0.01	0.01	0.01	0.01	0	0.02	0.03	0.03	0.03	0.04	0.03	0.01	0.02	0.01	0.01	0	0	0	0	2	2	2	2	2	2	2	0.00	0.01	0.01	0.02	0.05	0.02	0.02	0.00	0.01	0.00	0.01	0.01	0.00	0.00								0.20	0.80	1.10	0.00	0.00	0.00	0.00		1	0	1	0	0.5	0.01	1	0	1	0	1	0	1	0
○impi_reduce_local_11way	libmpi.so.12.0.0	0.01	0.02	0.02	0.02	0.01	0	0.01	0.03	0.05	0.06	0.08	0.06	0.02	0.05	0.03	0.02	0.01	0.01	0	0	0	2	2	2	2	2	2	2	0.00	0.01	0.04	0.08	0.11	0.02	0.05	0.00	0.01	0.02	0.03	0.02	0.00	0.01	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	0.75	0.01	0.75	0.01	0.38	0.01	1	0	1	0	1	0
○getBoxFromTuple	exec	0.01	0.01	0.02	0.01	0.01	0.01	0.01	0.05	0.02	0.08	0.04	0.04	0.04	0.06	0.04	0.01	0.02	0.01	0	0	0	2	2	2	2	2	2	2	0.01	0.01	0.03	0.01	0.04	0.02	0.07	0.02	0.01	0.02	0.00	0.01	0.00	0.01	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	Exe (%): 100.00	1.51	6.35	3.73	7.70	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_9468/171-110-4860/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /cluster/intel/oneapi/2024.0.0/mpi/2021.11/include -O3 -fargument-noalias -q...	1	0	2	0	0.5	0.01	0.5	0.01	1	0	1	0	1	0
○.plt.sec@start	libc.so.6	0.01	0.01	0.01	0.01	0.01	0.01	0	0.02	0.03	0.01	0.01	0.01	0.01	0.01	0.02	0.01	0.01	0	0	0	0	2	2	6	5	12	13	12	0.00	0.01	0.01	0.01	0.01	0.00	0.01	0.01	0.02	0.00	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
○_ZN15kmp_flag_nativeIyL9flag_type1ELb1EE13notdone_checkEv	libiomp5.so	0	0.01	0.05	0.12	0.22	0.41	0.5	0	0.03	0.08	0.08	0.06	0.11	0.12	0	0.02	0.03	0.04	0.04	0.07	0.08	0	4	8	14	31	64	96	0.00	0.01	0.04	0.05	0.07	0.13	0.15	0.00	0.01	0.02	0.02	0.01	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_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0	libiomp5.so	0	0.15	0.12	0.08	0.04	0.13	0.48	0	0.43	0.34	0.15	0.13	0.4	1.15	0	0.2	0.08	0.03	0.01	0.02	0.07	0	2	2	4	8	16	32	0.00	0.03	0.06	0.08	0.22	0.75	2.57	0.00	0.04	0.04	0.03	0.04	0.12	0.39	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	0.47	2.13	1.73	0	0.08	0.19	0.48	0.46	1.6	1.41	0	0.03	0.04	0.14	0.09	0.35	0.26	0	2	2	8	16	24	40	0.00	0.04	0.10	0.54	0.83	3.92	3.08	0.00	0.05	0.07	0.20	0.17	0.64	0.46	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	0.01	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	1.33	3.99	9.13	17.2	28.2	33.28	0	3.53	3.73	4.34	4.1	6.41	7.09	0	1.76	2.71	3.3	3.47	4.65	5.08	0	2	6	14	30	62	94	0.00	0.02	0.17	0.83	0.92	4.74	4.98	0.00	0.03	0.11	0.30	0.19	0.78	0.76	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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