OV - Compare Loops

Loops

▶kernel_outer.h: 590 - 68.57%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 161-161 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 174-174 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1035-1035 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 590-590						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 590-590 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 590-590 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74
1837	2.06	1.7	3.51	92.48	93.45	3714.6	1019	13.72	10	17.72	100	100	3869.01	1138	16.94	10.68	19.42	81.93	84.19	3115.28
1830	12.52	10.79	22.25	94.33	95.08	3451.16	1026	2.15	1.59	2.81	100	100	4172.31	1145	2.46	1.57	2.86	84.81	86.71	3782.35

▶kernel_outer.h: 608 - 25.98%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 161-161 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 174-174 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1035-1035 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 608-608						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 608-608 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 608-608 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74
1841	1.6	0.69	1.43	93.45	94.3	3575.71	1024	1.58	0.67	1.18	100	100	3931.4	1143	1.86	0.62	1.12	86.85	88.49	3814.34
1834	8.77	3.84	7.93	94.06	94.84	3612.75	1017	9.21	4.06	7.19	100	100	3648.63	1136	11.21	3.92	7.13	82.92	85.06	3296.68

▶fft5d.cpp: 884 - 16.79%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886
14989	3.7	2.91	6.01	0	25	0	23109	4.74	2.98	5.29	0	25	0	17020	4.99	2.94	5.34	0	25	0
						23108	0.05	0.01	0.01	0	25	0	17019	0.46	0.08	0.14	0	25	0

▶kernel_common.cpp: 56 - 6.49%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc		Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 74-74						Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 74-76
3126	2.48	1.81	3.74	0	18.52	0		2481	2.74	1.51	2.75	91.67	77.38	0

▶pme_spread.cpp: 639 - 4.73%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 639-641						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 639-641						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 639-641
14911	0.18	0.08	0.17	0	12.5	7.41	23029	0.11	0.03	0.05	0	12.5	6.79	16902	2.35	1.39	2.52	0	12.5	3.03
						23028	2.02	0.74	1.31	0	12.5	3.33	16904	0.37	0.18	0.32	100	100	6.1
						23030	0.37	0.2	0.36	100	50	5.78

▶pme_gather.cpp: 156 - 4.03%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 156-158 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 164-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 699-699 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 57-57 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 156-156 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 699-699 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 57-57 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64
	22649	1.77	1.14	2.01	88.89	79.17	767.92	16654	2.26	1.11	2.02	90.91	82.95	840.36

▶pme_spread.cpp: 104 - 3.94%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 141-145						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 143-145						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 143-145 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305
14940	0.84	0.72	1.49	3.03	13.64	53.83	23004	0.97	0.69	1.23	3.13	13.67	67.31	16961	1.03	0.67	1.22	17.14	19.29	66.86

▶pme_spread.cpp: 445 - 3.63%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 445-447						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 445-447						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 445-447
14920	0.85	0.5	1.04	0	12.5	3.59	23002	1.39	0.87	1.54	0	12.5	2.91	16925	0.65	0.13	0.24	0	12.5	4.3
												16927	0.91	0.44	0.81	100	50	4.32

▶iterator_interface.hpp: 459 - 3.51%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1942-1947 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 417-432 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernel_common.cpp: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 2519-2519					Loop Source Regions
	19774	0.02	0	0.01	0	17.71	NA
	19734	0.55	0.38	0.68	0	13	91.67
	2755	2.71	1.59	2.81	0	21.88	0
	4724	0.19	0	0.01	0	17.5	NA

▶pme_grid.cpp: 402 - 2.28%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 402-404						Loop Source Regions	Loop Source Regions
14787	1.18	1.1	2.28	0	12.5	2.58

▶avxintrin.h: 149 - 2.26%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 399-399 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 161-161 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 174-174 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1035-1035 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1328-1328 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-605 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-587 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 181-181 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 188-188 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 247-247						Loop Source Regions	Loop Source Regions
1835	0.95	0.42	0.86	94.39	94.72	3698.97
1831	0.63	0.5	1.04	94	94.49	3543.88
1842	0.17	0.08	0.16	94.14	94.56	3633.21
1838	0.17	0.1	0.2	93.34	93.81	3431.44

▶atomdata.cpp: 1122 - 2.25%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1122						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1122 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1221-1221 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1122-1124 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175
2953	0.57	0.25	0.52	100	100	26.31	2252	0.92	0.47	0.83	100	100	27.25	2332	0.52	0.18	0.32	100	100	29.35
												2331	0.74	0.32	0.58	100	100	32.41

▶settle.cpp: 423 - 2.25%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 429-431 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 674-674 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 332-332 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 346-346 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 380-380 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 526-526 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 769-769 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 974-974 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1066-1066 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1096-1096 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1102-1102 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1486-1486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-206 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 429-454 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 471-471 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 485-486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 540-540 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 576-579 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 603-622 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 628-649 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 655-655 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 663-665 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 672-674 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 80-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-396 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 80-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1060-1060 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-396 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64
13474	0.61	0.44	0.9	96.95	83.08	397.72	20236	0.32	0.21	0.37	96.56	88.41	376.11	15024	0.65	0.41	0.74	96.57	81.48	421.04
13475	0.09	0.05	0.11	97.2	85.08	458.43	20235	0.06	0.02	0.04	99.28	91.34	566.76	15025	0.11	0.05	0.09	97.1	83.71	454.21

▶kernel_prune.cpp: 115 - 2.21%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 332-332 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1204-1204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 115-115 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 123-132 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 181-181						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 115-118 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-401						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 115-123 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 132-132 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-167 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 401-401
2313	0.53	0.51	1.05	92.79	94.21	1625.67	1498	0.49	0.35	0.63	93.18	94.03	2401.9	1617	0.39	0.29	0.53	88.64	90.34	2850.92

▶atomdata.cpp: 226 - 2.15%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-236						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-236						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-233
2963	0.81	0.41	0.84	0	13.32	0	2237	0.75	0.36	0.64	0	12.5	0	2259	0.79	0.35	0.64	0	12.5	0
						2236	0.05	0.02	0.03	0	12.5	0

▶impl_x86_avx_256_simd_float.h: 71 - 1.85%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-584 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-602 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137
		1146	0.16	0.09	0.16	86.88	88.24	3667.46
		1139	0.86	0.5	0.9	85.04	86.36	3089.14
		1144	0.19	0.06	0.11	88.3	89.43	4214.92
		1137	1.02	0.37	0.68	85.7	86.97	3456.1

▶kernel_outer.h: 624 - 1.82%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 250-250 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 174-174 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 624-624						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 624-624 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 624-624 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64
1833	0.45	0.28	0.58	99.46	99.59	3071.53	1022	0.1	0.05	0.08	100	100	2706.21	1141	0.09	0.04	0.08	98.08	98.32	2647.03
1840	0.08	0.04	0.08	99.62	99.71	3102.72	1015	0.5	0.26	0.47	100	100	3458.68	1134	0.63	0.29	0.53	98.44	98.63	2372.64

▶fft5d.cpp: 947 - 1.79%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949
14985	0.41	0.29	0.59	0	25	0	23116	0.34	0.23	0.41	33.33	33.33	0	17012	0.01	0	0.01	0	25	NA
												17013	0.68	0.43	0.78	0	25	0

▶<unknown>: 0 - 1.7%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions							Loop Source Regions							Loop Source Regions
4200	0	0	0	0	0	NA	140	0.04	0	0	0	0	NA	95	0.02	0	0	0	0	NA
12869	0	0	0	0	0	NA	74	0	0	0	0	0	NA	97	0.02	0	0.01	100	100	NA
13312	0.02	0	0	0	0	NA	107	0	0	0	0	0	NA	96	0.93	0.47	0.85	100	100	7.84
5141	0.05	0	0	0	0	NA	136	0.01	0	0	0	0	NA	2317	0	0	0	0	0	NA
13472	0	0	0	0	0	NA	128	0.02	0	0	0	0	NA	4552	0.01	0	0	0	0	NA
14943	0	0	0	0	0	NA	120	0.02	0	0	0	0	NA	4843	0.01	0	0	0	0	NA
13666	0	0	0	0	0	NA	116	0.02	0	0	0	0	NA	3928	0	0	0	0	0	NA
2955	0	0	0	0	0	NA	112	0.02	0	0	0	0	NA	3920	0.01	0	0	0	0	NA
13289	0	0	0	0	0	NA	132	0.01	0	0	0	0	NA	4652	0.05	0	0	0	0	NA
5142	0.01	0	0	0	0	NA	124	0.02	0	0	0	0	NA	3936	0.01	0	0	0	0	NA
3113	0.01	0	0	0	0	NA	73	0.87	0.47	0.84	100	100	3.19	14150	0.05	0	0	0	0	NA
13290	0.01	0	0	0	0	NA	2349	0.05	0	0	0	0	NA	515	0	0	0	0	0	NA
12873	0.03	0	0	0	0	NA	19717	0.01	0	0	0	0	NA	15330	0.01	0	0	0	0	NA
14560	0.02	0	0	0	0	NA	4731	0.04	0	0	0	0	NA	4861	0	0	0	0	0	NA
4008	0	0	0	0	0	NA	22930	0.01	0	0	0	0	NA	14152	0.02	0	0	0	0	NA
14722	0.01	0	0	0	0	NA	20698	0	0	0	0	0	NA	16352	0	0	0	0	0	NA
4670	0.02	0	0	0	0	NA	4906	0.01	0	0	0	0	NA	2446	0.01	0	0	0	0	NA
14562	0	0	0	0	0	NA	3288	0	0	0	0	0	NA	2407	0	0	0	0	0	NA
14853	0.01	0	0	0	0	NA	19752	0.01	0	0	0	0	NA	15013	0.02	0	0	0	0	NA
3082	0	0	0	0	0	NA	18885	0	0	0	0	0	NA	4396	0	0	0	0	0	NA
5755	0	0	0	0	0	NA	4875	0.03	0	0	0	0	NA	14726	0	0	0	0	0	NA
4671	0.04	0	0	0	0	NA	2595	0	0	0	0	0	NA	2295	0.09	0	0	0	0	NA
3977	0.09	0	0	0	0	NA	19696	0	0	0	0	0	NA	2304	0.03	0	0	0	0	NA
2989	0.03	0	0	0	0	NA	23006	0	0	0	0	0	NA	4657	0.05	0	0	0	0	NA
2957	0	0	0	0	0	NA	3443	0.01	0	0	0	0	NA	4574	0	0	0	0	0	NA
4672	0.05	0	0	0	0	NA	3953	0	0	0	0	0	NA	16832	0.01	0	0	0	0	NA
3922	0	0	0	0	0	NA	2636	0.01	0	0	0	0	NA	3817	0.11	0	0	0	0	NA
4381	0.01	0	0	0	0	NA	25238	0	0	0	0	0	NA	16296	0.02	0	0	0	0	NA
3866	0	0	0	0	0	NA	22219	0.01	0	0	0	0	NA	4207	0	0	0	0	0	NA
5274	0	0	0	0	0	NA	19023	0.01	0	0	0	0	NA	2425	0	0	0	0	0	NA
13483	0.04	0	0	0	0	NA	22915	0	0	0	0	0	NA	4575	0.01	0	0	0	0	NA
3070	0	0	0	0	0	NA	3290	0	0	0	0	0	NA	14731	0	0	0	0	0	NA
5131	0.01	0	0	0	0	NA	19832	0	0	0	0	0	NA	14763	0.01	0	0	0	0	NA
3014	0.01	0	0	0	0	NA	22886	0.06	0	0	0	0	NA	15183	0.01	0	0	0	0	NA
13678	0.01	0	0	0	0	NA	22223	0.01	0	0	0	0	NA	2313	0.02	0	0	0	0	NA
13236	0.03	0	0	0	0	NA	4525	0	0	0	0	0	NA	5528	0	0	0	0	0	NA
4690	0.05	0	0	0	0	NA	2344	0	0	0	0	0	NA	2438	0.03	0	0	0	0	NA
4674	0.04	0	0	0	0	NA	6247	0.02	0	0	0	0	NA	14795	0	0	0	0	0	NA
12916	0.01	0	0	0	0	NA	3299	0	0	0	0	0	NA	5357	0.02	0	0	0	0	NA
3867	0.01	0	0	0	0	NA	19000	0.02	0	0	0	0	NA	14702	0	0	0	0	0	NA
12917	0.01	0	0	0	0	NA	3266	0	0	0	0	0	NA	16954	0	0	0	0	0	NA
3995	0	0	0	0	0	NA	3291	0.01	0	0	0	0	NA	4416	0	0	0	0	0	NA
13272	0	0	0	0	0	NA	6216	0	0	0	0	0	NA	14733	0	0	0	0	0	NA
13305	0	0	0	0	0	NA	22861	0	0	0	0	0	NA	14766	0	0	0	0	0	NA
3868	0	0	0	0	0	NA	3577	0	0	0	0	0	NA	5359	0	0	0	0	0	NA
5289	0	0	0	0	0	NA	23001	0	0	0	0	0	NA	2441	0.12	0	0	0	0	NA
12877	0	0	0	0	0	NA	23115	0.01	0	0	0	0	NA	5604	0	0	0	0	0	NA
4504	0	0	0	0	0	NA	2256	0	0	0	0	0	NA	14706	0.03	0	0	0	0	NA
4530	0	0	0	0	0	NA	4511	0.01	0	0	0	0	NA	4004	0	0	0	0	0	NA
4535	0	0	0	0	0	NA	4256	0.02	0	0	0	0	NA	14662	0	0	0	0	0	NA
4645	0.02	0	0	0	0	NA	19714	0.01	0	0	0	0	NA	16471	0	0	0	0	0	NA
5379	0	0	0	0	0	NA	6212	0	0	0	0	0	NA	4852	0	0	0	0	0	NA
13263	0.01	0	0	0	0	NA	4897	0.02	0	0	0	0	NA	14736	0	0	0	0	0	NA
3008	0	0	0	0	0	NA	22905	0	0	0	0	0	NA	14085	0	0	0	0	0	NA
13238	0	0	0	0	0	NA	23117	0.01	0	0	0	0	NA	2398	0	0	0	0	0	NA
4181	0	0	0	0	0	NA	22907	0	0	0	0	0	NA	15058	0	0	0	0	0	NA
13308	0.05	0	0	0	0	NA	2614	0.01	0	0	0	0	NA	5665	0	0	0	0	0	NA
4361	0	0	0	0	0	NA	19010	0	0	0	0	0	NA	14737	0.01	0	0	0	0	NA
13307	0	0	0	0	0	NA	22929	0	0	0	0	0	NA	5999	0	0	0	0	0	NA
13336	0	0	0	0	0	NA	5982	0.04	0	0	0	0	NA	4387	0.01	0	0	0	0	NA
4710	0.02	0	0	0	0	NA	4723	0.14	0	0	0	0	NA	15348	0.01	0	0	0	0	NA
4197	0	0	0	0	0	NA	6203	0	0	0	0	0	NA	4211	0	0	0	0	0	NA
13310	0	0	0	0	0	NA	271	0	0	0	0	0	NA	3917	0.01	0	0	0	0	NA
4003	0	0	0	0	0	NA	23012	0.01	0	0	0	0	NA	14764	0.01	0	0	0	0	NA
3870	0	0	0	0	0	NA	22931	0	0	0	0	0	NA	16955	0	0	0	0	0	NA
5162	0.02	0	0	0	0	NA	3276	0.01	0	0	0	0	NA	4662	0.05	0	0	0	0	NA
4496	0.01	0	0	0	0	NA	2756	0	0	0	0	0	NA	5666	0	0	0	0	0	NA
5280	0.02	0	0	0	0	NA	19784	0.02	0	0	0	0	NA	16629	0.01	0	0	0	0	NA
14944	0.01	0	0	0	0	NA	3298	0.01	0	0	0	0	NA	5360	0.04	0	0	0	0	NA
3102	0.01	0	0	0	0	NA	22902	0	0	0	0	0	NA	16959	0	0	0	0	0	NA
14870	0	0	0	0	0	NA	20199	0.06	0	0	0	0	NA	5328	0.02	0	0	0	0	NA
13311	0.08	0	0	0	0	NA	4258	0.02	0	0	0	0	NA	4212	0.01	0	0	0	0	NA
12926	0	0	0	0	0	NA	3950	0	0	0	0	0	NA	3901	0	0	0	0	0	NA
3913	0.01	0	0	0	0	NA	3454	0	0	0	0	0	NA	14709	0	0	0	0	0	NA
2993	0.02	0	0	0	0	NA	19755	0	0	0	0	0	NA	14154	0.01	0	0	0	0	NA
3869	0	0	0	0	0	NA	19827	0	0	0	0	0	NA	4663	0.07	0	0	0	0	NA
4616	0.05	0	0	0	0	NA	3947	0	0	0	0	0	NA	3924	0.01	0	0	0	0	NA
12896	0	0	0	0	0	NA	18876	0	0	0	0	0	NA	4847	0.01	0	0	0	0	NA
4716	0	0	0	0	0	NA	5978	0	0	0	0	0	NA	16621	0.01	0	0	0	0	NA
3095	0.01	0	0	0	0	NA	5968	0.09	0	0	0	0	NA	3981	0	0	0	0	0	NA
4502	0	0	0	0	0	NA	2580	0	0	0	0	0	NA	14710	0.02	0	0	0	0	NA
3917	0.01	0	0	0	0	NA	4274	0	0	0	0	0	NA	4668	0.02	0	0	0	0	NA
2979	0.09	0	0	0	0	NA	3317	0.01	0	0	0	0	NA	14822	0	0	0	0	0	NA
13341	0	0	0	0	0	NA	5936	0.01	0	0	0	0	NA	2459	0.01	0	0	0	0	NA
12899	0.01	0	0	0	0	NA	19759	0.03	0	0	0	0	NA	3918	0.01	0	0	0	0	NA
4519	0.01	0	0	0	0	NA	4821	0.01	0	0	0	0	NA	14173	0	0	0	0	0	NA
13257	0.01	0	0	0	0	NA	22722	0	0	0	0	0	NA	3926	0	0	0	0	0	NA
5140	0	0	0	0	0	NA	19758	0	0	0	0	0	NA	14714	0.04	0	0	0	0	NA
						2607	0	0	0	0	0	NA	14076	0.05	0	0	0	0	NA
						2145	0.01	0	0	0	0	NA	4597	0	0	0	0	0	NA
						4877	0.01	0	0	0	0	NA	5362	0	0	0	0	0	NA
						3289	0.01	0	0	0	0	NA	4665	0.09	0	0	0	0	NA
						19781	0.01	0	0	0	0	NA	4649	0.01	0	0	0	0	NA
						4278	0.01	0	0	0	0	NA	5363	0.03	0	0	0	0	NA
						22718	0	0	0	0	0	NA	2429	0.01	0	0	0	0	NA
						22714	0	0	0	0	0	NA	5522	0	0	0	0	0	NA
						2242	0	0	0	0	0	NA	3919	0.01	0	0	0	0	NA
						3557	0	0	0	0	0	NA	4666	0.06	0	0	0	0	NA
						20665	0.01	0	0	0	0	NA	2413	0	0	0	0	0	NA
						23014	0	0	0	0	0	NA	5603	0	0	0	0	0	NA
						290	0.01	0	0	0	0	NA	4558	0.01	0	0	0	0	NA
						22381	0.07	0	0	0	0	NA	4842	0.01	0	0	0	0	NA
						2353	0.02	0	0	0	0	NA
						5932	0	0	0	0	0	NA
						19736	0.04	0	0	0	0	NA
						22532	0	0	0	0	0	NA
						298	0	0	0	0	0	NA
						2728	0.03	0	0	0	0	NA
						2629	0.03	0	0	0	0	NA
						5979	0.03	0	0	0	0	NA
						2162	0.02	0	0	0	0	NA
						4526	0	0	0	0	0	NA
						2187	0.11	0	0	0	0	NA
						3296	0	0	0	0	0	NA
						19756	0.04	0	0	0	0	NA
						4648	0.05	0	0	0	0	NA
						4592	0.01	0	0	0	0	NA
						2601	0	0	0	0	0	NA
						19773	0.02	0	0	0	0	NA
						5940	0.01	0	0	0	0	NA
						3295	0	0	0	0	0	NA
						3464	0	0	0	0	0	NA
						6961	0	0	0	0	0	NA
						3496	0	0	0	0	0	NA
						22926	0.01	0	0	0	0	NA
						4524	0.01	0	0	0	0	NA
						4650	0.1	0	0	0	0	NA
						2615	0.01	0	0	0	0	NA
						19261	0.01	0	0	0	0	NA
						2626	0	0	0	0	0	NA
						19748	0.01	0	0	0	0	NA

▶bonded.cpp: 1151 - 1.42%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 161-161 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 174-174 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 186-186 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 229-229 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 308-308 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 332-332 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 346-346 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 526-526 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 769-769 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1035-1035 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1066-1066 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1096-1096 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1102-1102 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1486-1486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1151 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1159-1170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1177-1177 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-206 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 328-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 460-474 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 186-186 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 192-192 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 976-976						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1178 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1240-1255 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 155-155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 165-165 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 248-248 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 261-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-416 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1151 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1159-1170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 315-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 447-474 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 155-155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 165-165 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 248-248 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 261-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-416 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74
14529	0.39	0.28	0.58	74.76	61.62	482.04	22146	0.32	0.22	0.39	72.14	68.85	515.82	16283	0.56	0.25	0.45	79.63	64.84	536.32

▶lincs.cpp: 417 - 1.38%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc		Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 417-432 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122						Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 417-432 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122
13244	0.58	0.37	0.77	42.11	23.68	145.38		14754	0.56	0.33	0.61	27.78	22.22	162.7

▶lincs.cpp: 282 - 1.25%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82
	19727	0.57	0.34	0.6	0	12.5	64.54	14749	0.11	0.04	0.08	0	12.5	127
							14750	0.54	0.31	0.57	44.44	30.56	104.71

▶update.cpp: 1637 - 1.09%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1637-1641 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1637-1641 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305
	20506	0.43	0.3	0.53	0	18.75	0	15184	0.56	0.31	0.56	0	18.75	0

▶pme_spread.cpp: 172 - 1.07%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 172-174						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 172-174						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 172-174
14942	0.26	0.19	0.4	0	12.5	2.14	23005	0.3	0.19	0.34	0	12.5	2.99	16953	0.32	0.18	0.33	0	12.5	3.06

▶kernel_outer.h: 584 - 0.91%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-587 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-177					Loop Source Regions
	1020	0.65	0.44	0.78	98.96	99.13	3881.56
	1027	0.13	0.08	0.13	99.29	99.4	3896.27

▶threaded_force_buffer.cpp: 78 - 0.91%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc			Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 78-81 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_algobase.h: 922-922 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_iterator.h: 1144-1144						Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 78-78 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 696-696 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 887-887
5132	0.57	0.28	0.57	0	12.5	0			5339	0.02	0.01	0.01	94.12	95.59	0
								5340	0.43	0.18	0.33	94.12	95.59	0

▶lincs.cpp: 798 - 0.89%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 346-346 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 526-526 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 769-769 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 974-974 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1066-1066 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1096-1096 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1102-1102 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1486-1486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-809 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-206						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-810 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 828-828 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 80-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-810 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 80-85 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 229-236 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64
13261	0.22	0.17	0.34	83.85	66.15	219.3	19735	0.25	0.16	0.27	91.91	70.77	235.51	14740	0.23	0.16	0.28	90.32	68.39	230.42

▶atomdata.cpp: 1207 - 0.85%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 152-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211 /usr/include/c++/8/bits/stl_vector.h: 1056-1056						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1207-1211 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056
2954	0.15	0.1	0.21	26.67	27.5	43.18	2250	0.4	0.24	0.43	0	19.93	38.41	2333	0.03	0.01	0.02	0	23.75	38.75
												2334	0.22	0.1	0.19	0	22.06	48.16

▶kernel_outer.h: 602 - 0.81%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-605 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-178					Loop Source Regions
	1025	0.16	0.06	0.11	99.38	99.46	4544.59
	1018	0.9	0.4	0.7	99.05	99.17	3695.06

▶pairs.cpp: 863 - 0.8%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 113-113 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 346-346 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 526-526 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 769-769 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1066-1066 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1096-1096 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1102-1102 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1463-1463 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1486-1486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 80-80 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-206 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 328-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 460-474 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 186-186 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 192-192 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 976-976 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-863 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 871-884 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 892-893						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 315-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 459-474 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-886 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 892-894 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 315-342 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 459-474 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-863 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 871-884 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69
14659	0.23	0.16	0.34	54.89	42.02	354.81	22435	0.24	0.13	0.23	54.88	42.91	436.82	16514	0.25	0.13	0.23	67.37	50	441.26

▶pairlist_simd_4xm.h: 136 - 0.75%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 332-332 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 664-664 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1204-1204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 186-186 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 192-192 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 198-198 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 234-234 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 136-139 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 146-156 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 191-195						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 80-80 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 201-203 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 136-139 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 146-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 189-195 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-401						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 201-204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 136-139 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 146-155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 191-193 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 401-401
3886	0.19	0.15	0.31	79.21	66.52	198.23	3305	0.18	0.12	0.21	76.71	59.01	272.64	3904	0.17	0.13	0.23	73.18	57.2	233.88

▶update.cpp: 481 - 0.73%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 508-514 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 509-514 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64
	20503	0.35	0.21	0.36	100	98.28	170.31	15171	0.33	0.2	0.37	92.59	90.74	180.92

▶update.cpp: 1641 - 0.64%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1641-1641						Loop Source Regions	Loop Source Regions
13559	0.41	0.31	0.64	0	18.75	0

▶threaded_force_buffer.cpp: 209 - 0.53%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-143 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 209-211						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 209-211
	5825	0.41	0.13	0.23	0	12.5	25.96	5281	0.27	0.1	0.19	40	25	44.03
							5282	0.21	0.06	0.11	40	25	57.81

▶avxintrin.h: 204 - 0.44%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 204-204 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 670-670 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 698-698 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481						Loop Source Regions	Loop Source Regions
13588	0.29	0.21	0.44	100	98.08	171.87

▶pairlist.cpp: 3408 - 0.42%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3408-3409						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3411						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3407-3409
3926	0.11	0.07	0.15	0	12.5	216.65	3281	0.14	0.09	0.15	0	12.5	240.07	3912	0.12	0.07	0.12	7.14	15.18	204.02

▶atomdata.cpp: 1109 - 0.42%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1109						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1109 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1221-1221 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1109-1111 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175
2950	0.49	0.06	0.12	100	100	23.69	2254	0.94	0.08	0.14	100	100	28.73	2328	0.56	0.05	0.09	100	100	32
												2329	0.42	0.04	0.07	100	100	26.75

▶lincs.cpp: 1087 - 0.41%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 179-179						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 179-179
13264	0.06	0.01	0.03	0	12.5	133.88	19719	0.16	0.1	0.18	0	12.5	109.81	14739	0.21	0.11	0.2	0	12.5	110.6

▶lincs.cpp: 919 - 0.39%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 113-113 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 161-161 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 332-332 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 346-346 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 769-769 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1066-1066 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1096-1096 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1102-1102 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1486-1486 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-206						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-931 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-396 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 69-74						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-931 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h: 196-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-396 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-74
13260	0.12	0.07	0.15	81.4	67.44	307.31	19730	0.13	0.07	0.13	91.3	75.36	303.2	14735	0.12	0.06	0.11	94.12	72.79	355.46

▶atomdata.cpp: 1173 - 0.38%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102
2971	0.1	0.07	0.15	0	12.5	54.27	2245	0.11	0.07	0.12	0	12.5	52.25	2324	0.14	0.06	0.11	0	12.5	61.79

▶pme_solve.cpp: 534 - 0.35%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543
14881	0.17	0.14	0.28	5.63	14.61	460.51	22912	0.05	0.02	0.03	100	100	1275.52	16822	0.05	0.02	0.04	87.5	89.06	3354.42

▶pme_solve.cpp: 234 - 0.32%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 161-161 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 475-475 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1035-1035 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1066-1066 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 121-121 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 365-365 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 684-684						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-238 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 224-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 224-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 421-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 74-74 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 123-131
14880	0.1	0.07	0.14	100	98.08	1080.23	22910	0.06	0.03	0.05	100	100	1827.77	16820	0.1	0.06	0.11	98.23	98.01	1295.49
14875	0.01	0.01	0.01	100	98.08	485.63							16829	0.02	0.01	0.01	98.2	97.97	1010.76

▶stl_algobase.h: 695 - 0.32%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/stl_algobase.h: 695-695					Loop Source Regions
	5944	0.38	0.18	0.32	100	100	0

▶pme_solve.cpp: 522 - 0.31%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531
14882	0.16	0.11	0.24	6.67	15	1284.59	22916	0.04	0.02	0.03	100	100	1711.33	16824	0.06	0.02	0.04	87.5	89.06	3368.73

▶pme_solve.cpp: 555 - 0.29%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-560
14879	0.12	0.09	0.18	0	12.5	419.21	22906	0.06	0.03	0.05	100	70.83	1832.65	16817	0.07	0.03	0.06	100	87.5	2251.78

▶pme_spread.cpp: 197 - 0.26%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 197-199						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 197-199						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 197-199
14917	0.08	0.05	0.1	0	12.5	0	22998	0.03	0.01	0.01	100	100	0	16949	0.03	0.01	0.01	100	50	0
						23000	0.06	0.03	0.05	0	12.5	0	16948	0.02	0.01	0.01	0	16.67	0
						22999	0.04	0.01	0.02	0	12.5	0
						22997	0.07	0.04	0.06	100	100	0

▶kernel_outer.h: 618 - 0.23%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 250-250 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/fmaintrin.h: 65-65 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 174-174 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 296-296 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1041-1041 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1328-1328 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 181-181 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 188-188 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avx2intrin.h: 247-247						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-246 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-261 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-178						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-436 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 71-71 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 219-219 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 266-266 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 391-391 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-64 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 177-177
1839	0.02	0.01	0.01	98.62	98.31	1735.65	1016	0.07	0.03	0.06	99.07	99.19	3730.75	1142	0.02	0	0.01	97.62	97.75	NA
1832	0.07	0.04	0.08	98.07	98.13	2892.69	1023	0.02	0.01	0.01	99.34	99.42	1822.27	1135	0.09	0.03	0.06	97.61	97.67	2832.91

▶threaded_force_buffer.cpp: 182 - 0.22%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-186 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1256-1256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 80-80 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/unique_ptr.h: 191-191						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-187 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /usr/include/c++/8/bits/stl_vector.h: 1056-1056 /usr/include/c++/8/tuple: 163-163						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 154-154 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 182-186 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/array: 56-56 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150
5111	0.06	0.03	0.07	33.33	29.17	50	5822	0.09	0.06	0.1	50	36.46	28.38	5285	0.05	0.03	0.05	0	23.33	47.75

▶pairlist_simd_4xm.h: 204 - 0.21%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 332-332 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 368-368 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 406-406 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 664-664 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 881-881 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 1204-1204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 186-186 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 192-192 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 198-198 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/xmmintrin.h: 234-234 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 204-207 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 214-224 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 258-262						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 80-80 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 201-203 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 204-207 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 214-220 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 256-262 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 371-371 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 396-401						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 131-131 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h: 201-204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 204-207 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 214-223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 258-260 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 401-401
3885	0.06	0.04	0.08	81.44	61.32	184.22	3304	0.06	0.03	0.06	78.03	59.22	290	3903	0.08	0.04	0.07	69.01	56.29	203

▶vec.h: 292 - 0.18%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-294						Loop Source Regions	Loop Source Regions
13501	0.15	0.08	0.18	0	12.5	0

▶bonded.cpp: 2066 - 0.18%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2066-2066 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2074-2087 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2101-2101 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2117-2126 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 170-170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 172-172
		16292	0.19	0.1	0.18	41.35	43.04	977.6

▶md_support.cpp: 139 - 0.18%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 139-145 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 152-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 139-145 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 152-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 224-224						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 139-145 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 152-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305
13331	0.05	0.03	0.07	0	13.23	413.21	19831	0.06	0.03	0.06	1.75	14.09	413.05	14817	0.06	0.03	0.05	14.71	26.1	361.84

▶bonded.cpp: 2059 - 0.17%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2059-2089 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2101-2101 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2117-2126 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 170-170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 172-172					Loop Source Regions
	22155	0.15	0.09	0.17	32.84	37.75	1058.04

▶manage_threading.cpp: 365 - 0.16%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.h: 110-110 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 365-367 /usr/include/c++/8/bits/stl_vector.h: 933-933						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.h: 110-110 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 365-367 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/array: 56-56
	22373	0.08	0.04	0.08	0	25	0	16475	0.09	0.04	0.08	0	25	0

▶update.cpp: 361 - 0.14%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387
13589	0.05	0.03	0.05	36.84	25	223.79	20455	0.05	0.02	0.04	0	12.5	204.19	15170	0.07	0.03	0.05	30	25	218.38

▶pme_grid.cpp: 520 - 0.14%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc		Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522						Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522
14762	0.07	0.04	0.08	0	12.5	0		16730	0.07	0.03	0.06	0	12.5	0

▶sim_util.cpp: 473 - 0.14%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-294 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 473-473					Loop Source Regions
	20301	0.04	0.01	0.02	0	12.5	0
	20303	0.11	0.07	0.12	0	12.5	0

▶bonded.cpp: 444 - 0.13%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 444-453 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1050 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1060 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1067-1089 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/cmath: 464-464						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 445-453 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1050 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1084						Loop Source Regions
14543	0.06	0.04	0.08	15.92	17.54	104.81	22209	0.06	0.03	0.05	6.46	16.58	132.38

▶bonded.cpp: 2072 - 0.13%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2072-2087 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2094-2095						Loop Source Regions	Loop Source Regions
14538	0.1	0.06	0.13	4.9	14.34	516.99

▶pme_solve.cpp: 499 - 0.12%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511
14873	0.07	0.04	0.09	0	14.5	503.72	22920	0.02	0.01	0.01	100	91.25	575.26	16826	0.03	0.01	0.02	100	90.63	578.01

▶vec.h: 141 - 0.11%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc			Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147						Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-173 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 445-453 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1041 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1047-1050 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1060 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1067-1084 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/cmath: 464-464 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-635 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-654 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 663-685 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-720 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-742 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-777 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-804 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150
13502	0.04	0.01	0.03	28.57	23.21	62.38			16338	0.06	0.03	0.05	22.38	19.57	144.84
								16513	0.04	0.01	0.03	15.82	18.39	239.13

▶pairs.cpp: 125 - 0.11%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 634-634 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /usr/include/c++/8/bits/stl_vector.h: 1056-1056 /usr/include/c++/8/tuple: 163-163 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 125-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-639 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-687 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-714 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-744 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-771 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-824 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 166-166 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459					Loop Source Regions
	22430	0.11	0.06	0.11	6.57	16.46	139.84

▶pme_spread.cpp: 441 - 0.1%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 441-445					Loop Source Regions
	22994	0.1	0.05	0.08	0	17.31	3.38
	22995	0.02	0.01	0.02	0	15.63	4.5

▶pme_grid.cpp: 537 - 0.1%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 537-539						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 537-539
	22717	0.05	0.01	0.03	0	12.5	0	16725	0.11	0.04	0.07	0	12.5	0

▶pme_solve.cpp: 457 - 0.09%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470
14877	0.04	0.02	0.04	5	14.38	569.82	22932	0.04	0.02	0.03	14.29	17.86	1510.83	16834	0.03	0.01	0.02	5.88	14.71	2255.15

▶pme_solve.cpp: 441 - 0.09%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454
14878	0.04	0.02	0.03	5.26	14.47	301.63	22933	0.04	0.02	0.03	15.79	18.42	806.7	16835	0.06	0.01	0.03	5.88	14.71	1424.89

▶calcvir.cpp: 61 - 0.08%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-81 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/ishift.h: 72-72						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-75 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 81-81 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/ishift.h: 72-72						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-67
12894	0.03	0.02	0.03	0	12.5	239.25	18947	0.04	0.02	0.03	0	12.5	238.32	14133	0.03	0.01	0.02	30	41.25	447.01

▶pme_solve.cpp: 486 - 0.06%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496
14874	0.03	0.02	0.03	0	12.5	322	22923	0.01	0	0.01	100	80.43	NA	16827	0.02	0.01	0.02	40	23.75	1053.64

▶pairlist_simd_4xm.h: 268 - 0.05%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-935 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 988-988 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1278-1287 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/new_allocator.h: 175-175 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 268-273						Loop Source Regions	/usr/include/c++/8/ext/new_allocator.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-935 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 239-239 /usr/include/c++/8/bits/stl_vector.h: 806-806 /usr/include/c++/8/bits/stl_vector.h: 1076-1085 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 268-273						Loop Source Regions
3884	0.04	0.02	0.04	0	15.88	186.44	3303	0.03	0.01	0.01	5.56	18.75	243.5

▶pairlist.cpp: 3392 - 0.05%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3396						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3392-3394
	3282	0.03	0.01	0.02	0	12.5	371	3913	0.03	0.01	0.03	0	12.5	318.38

▶threaded_force_buffer.cpp: 122 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_algobase.h: 922-922						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122 /usr/include/c++/8/bits/stl_algobase.h: 754-754						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 122-122 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 754-754 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 887-887
5156	0.03	0.01	0.02	100	50	0	5919	0.03	0.01	0.01	0	25	0	5327	0.03	0.01	0.01	100	100	0

▶pme_grid.cpp: 502 - 0.04%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc		Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 502-504						Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 502-504
14801	0.5	0.01	0.02	0	12.5	0		16707	0.65	0.01	0.02	0	12.5	0

▶bonded.cpp: 1913 - 0.04%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1913-1925 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1993-1999 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2007-2008 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/cmath: 426-426
		16348	0.05	0.02	0.04	0	14.03	146.31

▶grid.cpp: 415 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-420						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-420						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-420
3068	0.02	0	0.01	0	12.5	NA	2625	0.02	0	0.01	0	12.5	NA	2421	0.01	0	0.01	0	13.24	NA

▶bonded.cpp: 2179 - 0.03%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2179-2194 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2206 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2213-2213 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2219-2223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2247-2256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 170-170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 137-137 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 157-157 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 172-172						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2179-2179 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2187-2194 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2213-2213 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2219-2223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2247-2256 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 170-170 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 180-180 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 276-276 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 406-406 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 416-421 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 64-69 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h: 172-172
	22156	0.08	0.01	0.02	27.72	35.75	877.64	16293	0.07	0.01	0.01	51.27	57.64	812.14

▶threaded_force_buffer.cpp: 200 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-200						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-200						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-200
5113	0.04	0.01	0.01	28.57	23.21	24	5823	0.04	0.01	0.01	0	12.5	15.88	5283	0.05	0.01	0.01	28.57	23.21	22.63

▶atomdata.cpp: 1006 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1006-1011 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-266						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1006-1011 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-266 /usr/include/c++/8/bits/stl_vector.h: 951-951						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1006-1015 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-266 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 951-951 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1056-1056
2968	0.01	0	0.01	0	15	NA	2223	0.01	0	0.01	0	15	NA	2320	0.01	0	0.01	0	20.83	NA

▶pairs.cpp: 606 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-173 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1256-1256 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/unique_ptr.h: 191-191 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/cmath: 464-464 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-636 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-687 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-714 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-744 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-771 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-801 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824						Loop Source Regions	Loop Source Regions
14657	0.04	0.02	0.03	15.19	18.47	86.06

▶threaded_force_buffer.cpp: 278 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1261-1261 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 80-82						Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-280 /usr/include/c++/8/bits/stl_vector.h: 1060-1060 /usr/include/c++/8/tuple: 163-163						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 278-278 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1060-1060 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150
5166	0.32	0.01	0.01	0	25	0	5969	0.28	0.01	0.01	33.33	33.33	0	5349	0.21	0	0.01	100	50	NA

▶lincs.cpp: 1215 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 120-120						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1215-1223
13255	0.02	0	0.01	3.03	13.64	NA	19710	0.01	0	0.01	4	14	NA	14727	0.01	0	0.01	0	12.5	NA

▶pme_solve.cpp: 473 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 473-475						Loop Source Regions	Loop Source Regions
14876	0.03	0.01	0.03	0	12.5	1576.89

▶pairlist.cpp: 3624 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3624-3624 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 988-988 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1143-1143 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1278-1287 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/new_allocator.h: 175-175						Loop Source Regions	Loop Source Regions
3899	0.03	0.02	0.03	0	22.92	0

▶pairlist.cpp: 607 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1318 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1326-1326 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1332-1332 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1332						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1326
3918	0.02	0.01	0.01	0	12.5	111.88	3316	0.02	0.01	0.01	0	12.5	224.13	3935	0.02	0.01	0.01	0	16.32	166.63

▶pairlist.cpp: 1981 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985
3911	0.02	0.01	0.01	0	17.86	155.38	3294	0.02	0.01	0.01	0	12.5	206.75	3929	0.02	0.01	0.01	0	13.1	141.13

▶lincs.cpp: 1155 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 149-149 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 320-320 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/lib/gcc/x86_64-pc-linux-gnu/12.2.0/include/avxintrin.h: 887-887 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 96-96 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 102-102 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 175-175 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h: 190-190
13258	0.02	0.01	0.01	100	100	46.13	19716	0.03	0.01	0.01	100	100	50.88	14734	0.03	0.01	0.01	100	100	73.88

▶new_allocator.h: 175 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1652-1658 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1124-1124 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1278-1287 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/new_allocator.h: 175-175 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305						Loop Source Regions	Loop Source Regions
13303	0.03	0.01	0.03	0	22.02	0

▶pairlist.cpp: 1991 - 0.03%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995
3912	0.01	0	0.01	0	18.1	NA	3293	0.02	0.01	0.01	0	12.5	154.38	3927	0.02	0.01	0.01	0	13.02	138.75

▶grid.cpp: 1462 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1462-1466 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-262 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1124-1124						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1462-1466 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 262-262 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 263-263						Loop Source Regions
3097	0.16	0	0.01	0	12.5	NA	2575	0.17	0	0.01	0	12.5	NA

▶stl_algobase.h: 909 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_algobase.h: 909-910						Loop Source Regions	Loop Source Regions
3997	0.03	0.01	0.02	100	50	0

▶stl_algobase.h: 740 - 0.02%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc		Run icc							Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/stl_algobase.h: 740-742						Loop Source Regions	/usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 740-742
	3498	0.03	0.01	0.01	0	25	0	3977	0.02	0.01	0.01	100	50	0

▶sim_util.cpp: 149 - 0.02%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 149-150
		15062	0.04	0.01	0.02	28.57	23.21	59.88

▶sim_util.cpp: 150 - 0.02%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 150-150					Loop Source Regions
	20295	0.04	0.01	0.02	0	12.5	38.75

▶listed_forces.cpp: 419 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID
Run gcc							Run icc							Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-426 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 445-445 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_iterator.h: 1073-1073 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 57-57 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 78-78 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/array: 61-61						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-426 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 445-445 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 56-57 /usr/include/c++/8/bits/stl_vector.h: 708-708 /usr/include/c++/8/bits/stl_vector.h: 806-806 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 180-180 /usr/include/c++/8/bits/stl_iterator.h: 873-873						Loop Source Regions
14598	0.01	0	0.01	0	14.73	NA	22359	0.01	0	0.01	10.81	25.42	NA

▶stl_vector.h: 296 - 0.02%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 437-437 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 450-450 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 471-473 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1652-1658 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 224-224 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 367-368 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 296-296 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 303-303 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 806-806 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1076-1081 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1645-1646 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 111-111 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 125-125 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 136-136
		14770	0.03	0.01	0.02	0	23.48	0

▶bonded.cpp: 2960 - 0.02%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)
Run gcc							Run icc		Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2977 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2994-3032 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/cmath: 185-185						Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2971 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2994-3032 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/cmath: 185-185
14554	0.02	0	0.01	25.33	20.83	NA		16349	0.03	0	0.01	36.82	27.74	NA

▶lincs.cpp: 1652 - 0.02%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/ext/new_allocator.h: 136-136 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1652-1658 /usr/include/c++/8/bits/stl_vector.h: 933-933 /usr/include/c++/8/bits/stl_vector.h: 1076-1085 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82					Loop Source Regions
	19746	0.03	0.01	0.02	0	21.67	0

▶pme_grid.cpp: 395 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 395-404					Loop Source Regions
	22686	0.02	0.01	0.01	0	17.19	6

▶calc_verletbuf.cpp: 530 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/std_abs.h: 75-75 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /usr/include/c++/8/bits/stl_vector.h: 951-951 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-85 /usr/include/c++/8/cmath: 223-223 /usr/include/c++/8/cmath: 464-464 /usr/include/c++/8/cmath: 1325-1325 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 530-539 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 555-559 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 577-582 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 595-615 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 629-638 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 672-688 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 695-696 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 707-721					Loop Source Regions
	18872	0.41	0.01	0.01	7.05	18.26	146

▶lincs.cpp: 1705 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 437-437 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 450-450 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/vector.tcc: 471-473 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1705-1715 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 224-224 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_algobase.h: 367-368 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 806-806 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 887-887 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 296-296 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 303-303 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 806-806 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1076-1081 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 1645-1646 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 111-111 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 125-125 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/ext/new_allocator.h: 136-136
		14768	0.02	0	0.01	0	22.92	NA

▶stl_algo.h: 571 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_algo.h: 571-580						Loop Source Regions	Loop Source Regions
4492	0.01	0	0.01	0	22.92	NA

▶partition.cpp: 2517 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 2517-2519						Loop Source Regions	Loop Source Regions
4567	0.13	0	0.01	0	18.75	NA

▶lincs.cpp: 1942 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1942-1947 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 459-459
		14765	0.02	0	0.01	0	20.31	NA

▶pairlist.cpp: 3008 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/array: 56-56 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3008-3008 /usr/include/c++/8/bits/stl_algobase.h: 754-754					Loop Source Regions
	3313	0.02	0	0.01	0	25	NA

▶constr.cpp: 587 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 328-328 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/math/arrayrefwithpadding.h: 108-108 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/math/arrayrefwithpadding.h: 165-165 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/move.h: 194-194 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/constr.cpp: 587-597 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/constr.cpp: 605-607 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/unique_ptr.h: 150-150
		14176	0.02	0	0.01	32.1	31.36	NA

▶fft.cpp: 132 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft.cpp: 132-140
		16968	0.02	0	0.01	0	20	NA

▶fft.cpp: 115 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/fft/fft.cpp: 115-123
		16967	0.02	0.01	0.01	0	20	406.63

▶pairlist.cpp: 3543 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 191-191 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3543-3546					Loop Source Regions
	3459	0.16	0	0.01	0	25	NA

▶bonded.cpp: 2185 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2185-2204 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2211-2213						Loop Source Regions	Loop Source Regions
14540	0.04	0.01	0.01	0	12.5	357.88

▶stl_algobase.h: 383 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_algobase.h: 383-385						Loop Source Regions	Loop Source Regions
4568	0.15	0	0.01	0	18.75	NA

▶bonded.cpp: 129 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 115-117 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 129-129 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1838 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1863 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2973 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2993-3032 /usr/include/c++/8/cmath: 185-185					Loop Source Regions
	22220	0.03	0.01	0.01	5.22	15.21	81.75

▶grid.cpp: 823 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 823-834
		2415	0.02	0	0.01	0	16.15	NA

▶grid.cpp: 1241 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1241-1242 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1270-1275 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1282-1285 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1305-1311 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1143-1143 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/updategroupscog.h: 116-116 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/updategroupscog.h: 123-123						Loop Source Regions	Loop Source Regions
3089	0.01	0	0.01	0	14.58	NA

▶bonded.cpp: 1822 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-169 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1822-1838 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1844-1847 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2290-2298 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2327					Loop Source Regions
	22159	0.04	0.01	0.01	3.95	16.59	135.63

▶utilities.h: 56 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-422 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 784-784 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_iterator.h: 873-873 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 56-57
		16450	0.01	0	0.01	0	23.09	NA

▶manage_threading.cpp: 144 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/manage_threading.cpp: 144-146
		16461	0.17	0	0.01	0	25	NA

▶stl_algobase.h: 684 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/usr/include/c++/8/bits/stl_algobase.h: 684-685					Loop Source Regions
	5943	0.01	0	0.01	0	12.5	NA

▶pme_spread.cpp: 911 - 0.01%

ASM Loop ID	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	Assembly Loop ID
Run gcc		Run icc						Run icx
Loop Source Regions		Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 911-911 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 923-923 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_internal.h: 211-211					Loop Source Regions
	23003	0.01	0	0.01	0	13.97	NA

▶stl_vector.h: 1124 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 162-162 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1705-1715 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1124-1124 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1278-1287 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/new_allocator.h: 175-175 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305						Loop Source Regions	Loop Source Regions
13301	0.01	0	0.01	0	19.44	NA

▶grid.cpp: 1068 - 0.01%

ASM Loop ID	Assembly Loop ID	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)
Run gcc	Run icc			Run icx
Loop Source Regions	Loop Source Regions			Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1068-1070 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1076-1076 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1082-1087 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 72-72 /usr/lib/gcc/x86_64-redhat-linux/8/../../../../include/c++/8/bits/stl_vector.h: 933-933
		2419	0.03	0.01	0.01	16.67	22.92	0

▶stl_vector.h: 988 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/utility/bitmask.h: 142-142 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3624-3624 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3635-3635 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_algobase.h: 922-922 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 988-988 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1143-1143 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1278-1287 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/new_allocator.h: 175-175						Loop Source Regions	Loop Source Regions
3900	0.02	0.01	0.01	16.23	25	0

▶bonded.cpp: 1996 - 0.01%

ASM Loop ID	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s	Assembly Loop ID	Assembly Loop ID
Run gcc							Run icc	Run icx
Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1996-2000 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2006-2008						Loop Source Regions	Loop Source Regions
14556	0.01	0	0.01	0	13.82	NA

Report Configuration

Loops

▶kernel_outer.h: 590 - 68.57%

▶kernel_outer.h: 608 - 25.98%

▶fft5d.cpp: 884 - 16.79%

▶kernel_common.cpp: 56 - 6.49%

▶pme_spread.cpp: 639 - 4.73%

▶pme_gather.cpp: 156 - 4.03%

▶pme_spread.cpp: 104 - 3.94%

▶pme_spread.cpp: 445 - 3.63%

▶iterator_interface.hpp: 459 - 3.51%

▶pme_grid.cpp: 402 - 2.28%

▶avxintrin.h: 149 - 2.26%

▶atomdata.cpp: 1122 - 2.25%

▶settle.cpp: 423 - 2.25%

▶kernel_prune.cpp: 115 - 2.21%

▶atomdata.cpp: 226 - 2.15%

▶impl_x86_avx_256_simd_float.h: 71 - 1.85%

▶kernel_outer.h: 624 - 1.82%

▶fft5d.cpp: 947 - 1.79%

▶<unknown>: 0 - 1.7%

▶bonded.cpp: 1151 - 1.42%

▶lincs.cpp: 417 - 1.38%

▶lincs.cpp: 282 - 1.25%

▶update.cpp: 1637 - 1.09%

▶pme_spread.cpp: 172 - 1.07%

▶kernel_outer.h: 584 - 0.91%

▶threaded_force_buffer.cpp: 78 - 0.91%

▶lincs.cpp: 798 - 0.89%

▶atomdata.cpp: 1207 - 0.85%

▶kernel_outer.h: 602 - 0.81%

▶pairs.cpp: 863 - 0.8%

▶pairlist_simd_4xm.h: 136 - 0.75%

▶update.cpp: 481 - 0.73%

▶update.cpp: 1641 - 0.64%

▶threaded_force_buffer.cpp: 209 - 0.53%

▶avxintrin.h: 204 - 0.44%

▶pairlist.cpp: 3408 - 0.42%

▶atomdata.cpp: 1109 - 0.42%

▶lincs.cpp: 1087 - 0.41%

▶lincs.cpp: 919 - 0.39%

▶atomdata.cpp: 1173 - 0.38%

▶pme_solve.cpp: 534 - 0.35%

▶pme_solve.cpp: 234 - 0.32%

▶stl_algobase.h: 695 - 0.32%

▶pme_solve.cpp: 522 - 0.31%

▶pme_solve.cpp: 555 - 0.29%

▶pme_spread.cpp: 197 - 0.26%

▶kernel_outer.h: 618 - 0.23%

▶threaded_force_buffer.cpp: 182 - 0.22%

▶pairlist_simd_4xm.h: 204 - 0.21%

▶vec.h: 292 - 0.18%

▶bonded.cpp: 2066 - 0.18%

▶md_support.cpp: 139 - 0.18%

▶bonded.cpp: 2059 - 0.17%

▶manage_threading.cpp: 365 - 0.16%

▶update.cpp: 361 - 0.14%

▶pme_grid.cpp: 520 - 0.14%

▶sim_util.cpp: 473 - 0.14%

▶bonded.cpp: 444 - 0.13%

▶bonded.cpp: 2072 - 0.13%

▶pme_solve.cpp: 499 - 0.12%

▶vec.h: 141 - 0.11%

▶pairs.cpp: 125 - 0.11%

▶pme_spread.cpp: 441 - 0.1%

▶pme_grid.cpp: 537 - 0.1%

▶pme_solve.cpp: 457 - 0.09%

▶pme_solve.cpp: 441 - 0.09%

▶calcvir.cpp: 61 - 0.08%

▶pme_solve.cpp: 486 - 0.06%

▶pairlist_simd_4xm.h: 268 - 0.05%

▶pairlist.cpp: 3392 - 0.05%

▶threaded_force_buffer.cpp: 122 - 0.04%

▶pme_grid.cpp: 502 - 0.04%

▶bonded.cpp: 1913 - 0.04%

▶grid.cpp: 415 - 0.03%

▶bonded.cpp: 2179 - 0.03%

▶threaded_force_buffer.cpp: 200 - 0.03%

▶atomdata.cpp: 1006 - 0.03%

▶pairs.cpp: 606 - 0.03%