OV - Compare Loops

MAQAO

options

Loops

▶kernel_outer.h: 590 - 94.71%

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-skx							Run gcc-zen3							Run gcc-g3e
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: 256-260 /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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 590-590 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-437 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207
						1830	107.35	107.35	38.82	94.33	95.08	69.37	1335	23.96	23.96	6.39	95.08	97.28	0
						1837	16.93	16.93	6.12	92.48	93.45	75.58	1327	162.54	162.54	43.38	96.49	98.87	0

▶kernel_outer.h: 547 - 36.99%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 371-371 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1816-1816 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4606-4606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13729-13729 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-210 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-220 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 301-301 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 368-368 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 887-887 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 547-547						Loop Source Regions							Loop Source Regions
2250	13.67	13.67	4.84	92.5	88.5	60.19
2243	90.72	90.72	32.15	93.13	86.74	53.56

▶kernel_outer.h: 608 - 35.44%

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	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-skx							Run gcc-zen3							Run gcc-g3e
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: 256-260 /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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 608-608 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-437 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207
						1841	7.02	7.02	2.54	93.45	94.3	71.4	1329	62.15	62.15	16.59	95.71	97.52	0
						1834	38.23	38.23	13.82	94.06	94.84	72.54	1337	9.35	9.35	2.49	95.72	97.54	0

▶kernel_outer.h: 565 - 13.47%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 371-371 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1816-1816 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4606-4606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13729-13729 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-210 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-220 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 301-301 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 368-368 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 887-887 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 565-565						Loop Source Regions							Loop Source Regions
2254	5	5	1.77	92.31	88.74	65.22
2247	33.01	33.01	11.7	93.57	87.59	55.88

▶avxintrin.h: 149 - 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-skx							Run gcc-zen3							Run gcc-g3e
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: 256-260 /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
						1835	4.38	4.38	1.58	94.39	94.72	72.65
						1831	5.18	5.18	1.87	94	94.49	69.36
						1842	0.63	0.63	0.23	94.14	94.56	96.17
						1838	0.72	0.72	0.26	93.34	93.81	97.79

▶impl_arm_sve_simd_float.h: 83 - 3.56%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 83-83 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 101-101 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 468-468 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 507-507 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 555-555 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 584-587 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 602-605 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-250 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 342-342 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-437 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207
												1336	0.91	0.91	0.24	88.93	92.62	0
												1328	5.95	5.95	1.59	90.02	93.04	0
												1330	5.58	5.58	1.49	90.72	93.31	0
												1338	0.91	0.91	0.24	90.36	93.05	0

▶avx512fintrin.h: 371 - 3.14%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 371-371 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1816-1816 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4181-4181 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4606-4606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 7799-7799 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 7928-7928 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11159-11159 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13729-13729 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-210 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-220 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 250-255 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 301-301 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 368-368 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 887-887 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 541-541 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 559-559						Loop Source Regions							Loop Source Regions
2244	4.63	4.63	1.64	90.14	84.19	39.59
2251	0.54	0.54	0.19	89.12	85.83	59.13
2248	3.19	3.19	1.13	90.76	84.72	49.33
2255	0.5	0.5	0.18	89.45	86.54	64.48

▶kernel_prune.cpp: 115 - 3.08%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 115-127 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 166-169 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp: 181-181
						2313	4.81	4.81	1.74	92.79	94.21	34.65	1853	5.02	5.02	1.34	91.53	85.54	0

▶kernel_outer.h: 624 - 2.71%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 624-624 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 250-250 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-437 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207
						1840	0.37	0.37	0.14	99.62	99.71	68.32	1340	0.74	0.74	0.2	99.28	100	0
						1833	2.79	2.79	1.01	99.46	99.59	60.64	1332	5.09	5.09	1.36	95.63	97.39	0

▶settle.cpp: 423 - 2.49%

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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 431-431 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 606-606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 7555-7555 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 10318-10318 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 10509-10509 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11174-11174 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15106-15106 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 429-431 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 674-674						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 423-423 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 429-431 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/settle.cpp: 674-674 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 260-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 456-456 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 161-166
14221	2.41	2.41	0.85	100	100	9.83	13474	2.32	2.32	0.84	96.95	83.08	15.35	17708	2.14	2.14	0.57	98.81	99.85	0
14222	0.25	0.25	0.09	99.8	99.82	11.52	13475	0.23	0.23	0.08	97.2	85.08	20.39	17710	0.21	0.21	0.06	99.15	99.88	0

▶fft5d.cpp: 884 - 2.17%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 884-886
												20234	8.12	8.12	2.17	0	0	0

▶pme_spread.cpp: 104 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /home/eoseret/GROMACS/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: 141-145						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 104-104 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 111-117 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 127-133 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 141-145
15882	2.57	2.57	0.91	2.72	7.41	2.22	14940	1.66	1.66	0.6	3.03	13.64	4.8	20180	1.16	1.16	0.31	0	12.5	0

▶kernel_prune.cpp: 109 - 1.77%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11174-11174 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 109-109 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 117-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 148-151 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp: 163-163						Loop Source Regions							Loop Source Regions
2726	5	5	1.77	91.93	84.66	22.3

▶pme_gather.cpp: 247 - 1.72%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_gather.cpp: 247-251 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 786-786 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 1487-1487 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 15253-15253 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 16065-16065
												19901	6.46	6.46	1.72	95.24	49.4	0

▶bonded.cpp: 1151 - 1.4%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 221-221 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 235-235 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 284-284 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 347-347 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 363-363 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 375-375 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 501-501 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1151-1151 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1159-1170 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1177-1178 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 180-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 201-208
						14529	1.82	1.82	0.66	74.76	61.62	15.29	19436	2.78	2.78	0.74	78.55	84.2	0

▶lincs.cpp: 368 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 368-383 /home/eoseret/GROMACS/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/lincs.cpp: 368-383 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 368-383 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122
13979	1.82	1.82	0.65	42.11	11.84	3.77	13246	1.23	1.23	0.45	42.11	23.68	9.82	17368	1.05	1.05	0.28	23.53	19.12	0

▶pme_grid.cpp: 303 - 1.26%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 303-303 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 309-309						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 303-303 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 309-309						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 303-303 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 309-309
15715	1.52	1.52	0.54	0	6.25	0	14785	1.28	1.28	0.46	0	12.5	0	19939	0.97	0.97	0.26	100	100	0

▶pairs.cpp: 863 - 1.21%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 278-278 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 80-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 863-863 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 871-884 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 892-894 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 172-172 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 180-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 201-208
						14659	1.8	1.8	0.65	54.89	42.02	6	19705	2.09	2.09	0.56	58.78	65.71	0

▶kernel_outer.h: 581 - 1.17%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 371-371 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4606-4606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 207-210 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-220 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 368-368 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 887-887 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 581-581						Loop Source Regions							Loop Source Regions
2253	0.41	0.41	0.15	99.07	91.32	43.51
2246	2.89	2.89	1.02	98.73	88.13	42.52

▶pme_solve.cpp: 534 - 1.13%

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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 534-543
15815	1.79	1.79	0.64	6.67	7.5	4.51	14881	1.2	1.2	0.43	5.63	14.61	7.3	20095	0.21	0.21	0.06	94.44	100	0

▶pme_grid.cpp: 402 - 1.03%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 402-404						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 402-404						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 402-404
15717	1.63	1.63	0.58	0	6.25	0	14787	0.91	0.91	0.33	0	12.5	0	19942	0.43	0.43	0.12	100	100	0

▶lincs.cpp: 798 - 1.02%

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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 457-457 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 606-606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 10318-10318 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 10509-10509 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15106-15106 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-809						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 798-798 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 809-809 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 162-166
14002	1.14	1.14	0.4	100	100	5.89	13261	1.02	1.02	0.37	83.85	66.15	7.69	17400	0.93	0.92	0.25	95.76	100	0

▶pme_solve.cpp: 522 - 1.02%

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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 522-531
15816	1.6	1.6	0.57	6.67	7.5	4.61	14882	1.1	1.1	0.4	6.67	15	39.8	20099	0.19	0.19	0.05	88.89	100	0

▶pme_solve.cpp: 555 - 0.82%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 555-561
15813	1.3	1.3	0.46	0	6.25	5.48	14879	0.8	0.8	0.29	0	12.5	11.26	20093	0.27	0.27	0.07	100	100	0

▶pairlist_simd_4xm.h: 136 - 0.77%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 136-139 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 146-146 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 150-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 191-195 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 1487-1487 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 2188-2188 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 6218-6218 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 16065-16065 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 19733-19733 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 21797-21797 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 480-480 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216
						3886	1.36	1.36	0.49	79.21	66.52	4.75	3732	0.15	0.15	0.04	71.43	42.86	0
												3733	0.91	0.91	0.24	83.33	80.11	0

▶pairlist.cpp: 3408 - 0.74%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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: 3408-3409						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3408-3409
3745	0.85	0.85	0.3	0	6.25	0.16	3926	0.71	0.71	0.26	0	12.5	4.57	3738	0.69	0.68	0.18	0	15.91	0

▶pairlist_simd_2xmm.h: 130 - 0.71%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11174-11174 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 192-192 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 198-198 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 204-204 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 240-240 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 664-664 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 130-133 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 140-149 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 172-176						Loop Source Regions							Loop Source Regions
3678	2.02	2.02	0.71	80.26	41.49	4.14

▶pme_solve.cpp: 234 - 0.7%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 457-457 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 895-895 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1251-1251 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1816-1816 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11426-11426 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13729-13729 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 14053-14053 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15106-15106 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 316-316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 322-322 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 416-426 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 600-600 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 234-234
15806	0.05	0.05	0.02	100	100	45	14880	0.58	0.58	0.21	100	98.08	10.87	20098	0.92	0.92	0.25	90	100	0
15814	0.48	0.48	0.17	100	100	46.42	14875	0.06	0.06	0.02	100	98.08	49.4	20097	0.09	0.09	0.03	90	100	0

▶atomdata.cpp: 226 - 0.65%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 226-236
2745	0.82	0.82	0.29	0	6.66	0	2963	0.7	0.7	0.25	0	13.32	0	2614	0.41	0.41	0.11	0	12.5	0

▶pme_solve.cpp: 499 - 0.62%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 499-511
15808	1.1	1.1	0.39	32.81	11.13	3.25	14873	0.41	0.41	0.15	0	14.5	10.35	20083	0.31	0.31	0.08	100	100	0

▶lincs.cpp: 282 - 0.58%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 282-284
												17373	1.67	1.67	0.45	100	100	0
												17378	0.47	0.47	0.13	100	100	0

▶bonded.cpp: 2072 - 0.55%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2072-2095						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2072-2087 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2094-2095
15434	0.73	0.74	0.26	4.9	7.17	0.65	14538	0.56	0.56	0.2	4.9	14.34	10.72	19484	0.33	0.33	0.09	0	12.9	0

▶atomdata.cpp: 1173 - 0.53%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.cpp: 1173-1179 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/atomdata.h: 102-102
2754	0.75	0.75	0.26	0	6.25	1.05	2971	0.48	0.48	0.17	0	12.5	1.76	2597	0.38	0.38	0.1	14.29	14.29	0

▶kernel_outer.h: 618 - 0.37%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 83-83 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 468-468 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 507-507 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 555-555 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h: 618-621 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 243-243 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 250-250 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 256-260 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 277-279 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 436-437 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h: 1205-1207
						1839	0.08	0.09	0.03	98.62	98.31	38.69	1339	0.07	0.07	0.02	97.37	95.68	0
						1832	0.41	0.41	0.15	98.07	98.13	58.45	1331	0.63	0.63	0.17	95.56	95.5	0

▶fft5d.cpp: 947 - 0.36%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/fft/fft5d.cpp: 947-949
												20230	1.36	1.36	0.36	0	0	0

▶avx512fintrin.h: 457 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 457-457 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 7090-7090 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481						Loop Source Regions							Loop Source Regions
14337	0.99	0.99	0.35	100	100	3.72

▶lincs.cpp: 919 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 457-457 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 606-606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 10318-10318 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11174-11174 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13465-13465 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13729-13729 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15106-15106 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-930						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 278-278 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 284-284 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 295-295 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 369-369 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 450-450 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 474-474 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 628-628 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 919-919 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 930-930 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 144-149
14001	0.38	0.38	0.14	100	100	6.74	13260	0.28	0.28	0.1	81.4	67.44	17.51	17393	0.3	0.3	0.08	94.74	98.85	0

▶bonded.cpp: 444 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 164-164 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /usr/include/c++/13.1.1/cmath: 466-466 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 444-453 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1050 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1059-1060 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1067-1084						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	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 444-453 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1030-1050
15461	0.53	0.53	0.19	10.42	8.78	2.68	14543	0.31	0.31	0.11	15.92	17.54	3.13	19513	0.03	0.04	0.01	10	13.75	0

▶avxintrin.h: 204 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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
						13588	0.85	0.85	0.31	100	98.08	8.98

▶threaded_force_buffer.cpp: 78 - 0.3%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/include/c++/13.1.1/bits/stl_algobase.h: 931-931 /usr/include/c++/13.1.1/bits/stl_iterator.h: 1148-1148 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 78-81						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
5110	0.4	0.4	0.14	0	6.25	0	5132	0.44	0.44	0.16	0	12.5	0

▶md_support.cpp: 139 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 139-145 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/md_support.cpp: 152-157 /home/eoseret/GROMACS/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						Loop Source Regions
14066	0.49	0.49	0.18	0	6.61	3.31	13331	0.3	0.3	0.11	0	13.23	8.75

▶update.cpp: 1641 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1641-1641						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1641-1641						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 1641-1641
14311	0.44	0.44	0.16	0	9.38	0	13559	0.22	0.22	0.08	0	18.75	0	17867	0.17	0.17	0.05	0	0	0

▶sim_util.cpp: 466 - 0.24%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-294 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 466-466						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: 466-466						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 292-292 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/sim_util.cpp: 466-466
14257	0.04	0.04	0.02	0	6.25	0	13506	0.04	0.04	0.02	0	12.5	0	17767	0.06	0.06	0.02	77.42	83.06	0
14259	0.35	0.35	0.12	0	6.25	0	13508	0.16	0.16	0.06	0	12.5	0

▶threaded_force_buffer.cpp: 200 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdtypes/threaded_force_buffer.cpp: 200-200
5089	0.32	0.32	0.11	28.57	11.61	1.88	5113	0.19	0.19	0.07	28.57	23.21	3.52	5712	0.18	0.18	0.05	97.87	94.68	0

▶pairs.cpp: 606 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-173 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /usr/include/c++/13.1.1/cmath: 466-466 /usr/include/c++/13.1.1/bits/stl_vector.h: 1258-1258 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-636 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-687 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 714-714 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 742-744 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 771-771 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-801 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824 /usr/include/c++/13.1.1/bits/unique_ptr.h: 199-199						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	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 167-173 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 193-199 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 270-272 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 345-345 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 606-614 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 633-633 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 648-667 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 675-675 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 687-687 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 801-801 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 812-824 /usr/include/c++/11/bits/stl_vector.h: 1169-1169 /usr/include/c++/11/bits/unique_ptr.h: 173-173
15581	0.33	0.33	0.12	18.02	9.68	1.45	14657	0.14	0.14	0.05	15.19	18.47	2.67	19709	0.19	0.19	0.05	14.55	16.59	0

▶pairs.cpp: 869 - 0.2%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 869-886 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/pairs.cpp: 892-893						Loop Source Regions							Loop Source Regions
15584	0.57	0.57	0.2	5.9	7.55	0.98

▶pme_solve.cpp: 457 - 0.19%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 457-470
15811	0.2	0.2	0.07	4.65	7.12	3.8	14877	0.18	0.18	0.07	5	14.38	6.63	20090	0.18	0.18	0.05	0	12.5	0

▶pairlist_simd_2xmm.h: 185 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11174-11174 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 192-192 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 198-198 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 204-204 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/xmmintrin.h: 240-240 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 216-216 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 664-664 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 185-188 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 195-204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 227-231						Loop Source Regions							Loop Source Regions
3680	0.51	0.51	0.18	79.14	41.81	6.9

▶pme_solve.cpp: 441 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 441-454
15812	0.19	0.19	0.07	5.26	7.24	4.42	14878	0.12	0.12	0.05	5.26	14.47	10.84	20091	0.22	0.22	0.06	0	12.5	0

▶pairlist_simd_2xmm.h: 237 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-935 /usr/include/c++/13.1.1/bits/new_allocator.h: 187-187 /usr/include/c++/13.1.1/bits/stl_vector.h: 990-990 /usr/include/c++/13.1.1/bits/stl_vector.h: 1280-1289 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_2xmm.h: 237-243						Loop Source Regions							Loop Source Regions
3679	0.52	0.52	0.18	0	7.6	0

▶calcvir.cpp: 61 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/pbcutil/ishift.h: 72-72 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-81						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/pbcutil/ishift.h: 72-72 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 61-61 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calcvir.cpp: 67-75
13590	0.24	0.24	0.09	0	6.25	2.25	12894	0.18	0.17	0.06	0	12.5	6.06	16777	0.09	0.09	0.03	0	12.89	0

▶bonded.cpp: 1157 - 0.17%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1157-1177						Loop Source Regions							Loop Source Regions
15439	0.47	0.47	0.17	8.89	8.06	0.68

▶pme_solve.cpp: 486 - 0.15%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 486-496
15809	0.25	0.25	0.09	0	6.25	2.92	14874	0.13	0.13	0.05	0	12.5	8.53	20087	0.05	0.05	0.01	100	100	0

▶pairlist_simd_4xm.h: 204 - 0.15%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 204-207 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 214-214 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 1487-1487 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 2188-2188 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 6218-6218 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 16065-16065 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 19733-19733 /usr/lib/gcc/aarch64-linux-gnu/11/include/arm_neon.h: 21797-21797
						3885	0.36	0.36	0.13	81.44	61.32	4.53	3768	0.08	0.08	0.02	66.67	40.83	0

▶kernel_outer.h: 575 - 0.15%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 371-371 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 1930-1930 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4181-4181 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4319-4319 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 4606-4606 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 7799-7799 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 7928-7928 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 11159-11159 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12715-12715 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13042-13042 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 13377-13377 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 15343-15343 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 201-201 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 207-210 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 219-220 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 330-330 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h: 893-893 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 368-368 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avxintrin.h: 887-887 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h: 575-578						Loop Source Regions							Loop Source Regions
2252	0.05	0.05	0.02	97.3	89.81	41.6
2245	0.37	0.37	0.13	94.25	84.84	38.27

▶lincs.cpp: 1087 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /home/eoseret/GROMACS/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 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 179-179						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1087-1089 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 179-179
14005	0.17	0.17	0.06	0	6.25	1.24	13264	0.12	0.12	0.05	0	12.5	3.19	17399	0.1	0.1	0.03	18.52	14.81	0

▶lincs.cpp: 1155 - 0.1%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 457-457 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12609-12609 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1155-1155
14000	0.18	0.18	0.07	100	100	0	13258	0.05	0.05	0.02	100	100	3.35	17394	0.02	0.02	0.01	100	100	0

▶update.cpp: 361 - 0.1%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /home/eoseret/GROMACS/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						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 361-365 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 376-376 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 384-387
14338	0.11	0.11	0.04	35.9	12.34	7.73	13589	0.12	0.12	0.04	36.84	25	11.73	17910	0.07	0.07	0.02	25.71	20	0

▶calc_verletbuf.cpp: 530 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /usr/include/c++/13.1.1/bits/std_abs.h: 76-76 /usr/include/c++/13.1.1/cmath: 466-466 /usr/include/c++/13.1.1/bits/stl_vector.h: 1145-1145 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 530-539 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 672-672 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 680-721						Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/std_abs.h: 76-76 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /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/mdlib/calc_verletbuf.cpp: 530-539 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 672-721						Loop Source Regions	/usr/include/c++/11/bits/std_abs.h: 76-76 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /usr/include/c++/11/cmath: 464-464 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 530-533 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 672-672 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 680-709 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 718-721 /usr/include/c++/11/bits/stl_vector.h: 1064-1064
13569	0.11	0.12	0.04	12.94	10	1.92	12873	0.07	0.07	0.03	21.65	22.16	1.84	16751	0.06	0.06	0.02	0	15.41	0

▶pme_solve.cpp: 473 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 473-475						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 473-475						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_solve.cpp: 473-475
15810	0.1	0.1	0.04	0	6.25	1.8	14876	0.11	0.11	0.04	0	12.5	19.69	20089	0.02	0.02	0.01	100	100	0

▶update.cpp: 481 - 0.07%

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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 126-126 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 147-147 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/update.cpp: 481-481 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 226-230
												17908	0.25	0.25	0.07	100	100	0

▶pairlist.cpp: 1981 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1981-1985
3731	0.07	0.08	0.03	0	8.93	0	3911	0.04	0.04	0.02	0	17.86	9.28	3748	0.03	0.03	0.01	0	12.5	0

▶bonded.cpp: 1913 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1913-1925 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1996-1998 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2006-2008
												19545	0.19	0.19	0.05	20	15.63	0

▶bonded.cpp: 2185 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2185-2213						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
15436	0.09	0.09	0.03	0	6.25	0	14540	0.06	0.06	0.02	0	12.5	17.13

▶bonded.cpp: 2179 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 242-242 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 248-248 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 254-254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 266-266 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 272-272 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 278-278 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 491-491 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 501-501 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 507-507 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 531-531 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 549-549 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h: 600-600 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2179-2179 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2185-2194 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2201-2204 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2213-2213 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2219-2223 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2247-2254 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 180-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h: 201-208
												19487	0.2	0.2	0.05	82.46	86.04	0

▶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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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
						3884	0.14	0.14	0.05	0	15.88	5.54

▶grid.cpp: 415 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 415-417
2860	0.08	0.08	0.03	0	6.25	0	3068	0.04	0.04	0.01	0	12.5	0.16	2771	0.02	0.02	0.01	0	0	0

▶pairlist.cpp: 3207 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 256-256 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3207-3238 /usr/include/c++/13.1.1/bits/stl_vector.h: 1145-1145						Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.h: 256-256 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/functions.h: 321-321 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3207-3238 /usr/include/c++/11/bits/stl_vector.h: 1064-1064
3727	0.07	0.07	0.03	10.26	8.17	0.29							3741	0.02	0.02	0.01	5.88	13.24	0

▶bonded.cpp: 2960 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/include/c++/13.1.1/cmath: 187-187 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2977 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2994-3032						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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2960-2971 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2977-2977 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2985-2987 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2994-3032
15472	0.06	0.06	0.02	26.32	10.61	1.17	14554	0.03	0.03	0.01	25.33	20.83	1.54	19542	0.02	0.02	0.01	29.41	19.12	0

▶pme_grid.cpp: 453 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 453-455						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 453-455						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 453-455
15724	0.05	0.05	0.02	0	6.25	1.8	14794	0.01	0.01	0.01	0	12.5	8.25	19954	0.03	0.03	0.01	100	100	0

▶lincs.cpp: 1215 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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						Loop Source Regions
13996	0.06	0.06	0.02	3.03	6.82	3.33	13255	0.04	0.04	0.02	3.03	13.64	9.09

▶pme_grid.cpp: 469 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 469-471						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 469-471						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 469-471
15719	0.06	0.06	0.02	0	6.25	1.17	14789	0.02	0.02	0.01	0	12.5	2.69	19948	0.03	0.03	0.01	100	100	0

▶lincs.cpp: 1098 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 457-457 /usr/lib/gcc/x86_64-pc-linux-gnu/13.1.1/include/avx512fintrin.h: 12821-12821 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1098-1098						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: 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: 1098-1098						Loop Source Regions
14004	0.08	0.08	0.03	100	100	0	13263	0.03	0.03	0.01	100	100	2.33

▶vec.h: 141 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 141-147						Loop Source Regions
14253	0.07	0.07	0.02	28.57	11.61	2.14	13502	0.05	0.05	0.02	28.57	23.21	2.83

▶stl_vector.h: 919 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 152-152 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 934-935 /usr/include/c++/11/bits/stl_vector.h: 919-919 /usr/include/c++/11/bits/stl_vector.h: 1189-1198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist_simd_4xm.h: 268-273 /usr/include/c++/11/ext/new_allocator.h: 154-154
												3747	0.14	0.14	0.04	0	14.58	0

▶ga2la.h: 112 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/ga2la.h: 112-114 /usr/include/c++/11/bits/stl_vector.h: 1064-1064 /usr/include/c++/11/bits/stl_vector.h: 919-919 /usr/include/c++/11/bits/stl_vector.h: 1189-1198 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 505-513 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 748-753 /usr/include/c++/11/ext/new_allocator.h: 156-156
												4732	0.03	0.03	0.01	0	12.5	0
												4761	0.07	0.07	0.02	0	21.88	0

▶grid.cpp: 1241 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/updategroupscog.h: 116-116 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/updategroupscog.h: 123-123 /usr/include/c++/13.1.1/bits/stl_vector.h: 1145-1145 /usr/include/c++/13.1.1/bits/stl_algobase.h: 238-238 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1241-1242 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1270-1275 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1282-1285 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/grid.cpp: 1305-1311						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
2881	0.02	0.02	0.01	0	7.5	1	3089	0.04	0.04	0.02	0	14.58	0.44

▶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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/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	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1991-1995
3732	0.03	0.03	0.01	0	9.05	0	3912	0.02	0.02	0.01	0	18.1	10.88	3774	0.03	0.04	0.01	0	12.5	0

▶cmath: 466 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/include/c++/13.1.1/cmath: 466-466 /usr/include/c++/13.1.1/cmath: 2141-2141 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/calc_verletbuf.cpp: 630-641						Loop Source Regions							Loop Source Regions
13548	0.09	0.09	0.03	6.58	7.48	2.22

▶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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1318 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1326-1332 /home/eoseret/GROMACS/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: 1316-1318 /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
3740	0.06	0.06	0.02	0	6.25	0	3918	0.04	0.04	0.01	0	12.5	6.25

▶pme_grid.cpp: 502 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 502-504						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 502-504						Loop Source Regions
15731	0.04	0.04	0.02	0	6.25	0	14801	0.03	0.03	0.01	0	12.5	0

▶pme_grid.cpp: 520 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522						Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 520-522
15693	0.01	0.01	0.01	0	6.25	0	14762	0.03	0.03	0.01	0	12.5	0	19914	0.02	0.02	0.01	100	100	0

▶pairlist.cpp: 1305 - 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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1305-1308 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1386-1388 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1395-1413
												3778	0.13	0.13	0.03	0	14.06	0

▶bonded.cpp: 2290 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2290-2298 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2327						Loop Source Regions	/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
15478	0.02	0.02	0.01	0	7.84	3.5	14560	0.01	0.01	0.01	0	15.95	5.13

▶partition.cpp: 2517 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 2517-2519						Loop Source Regions							Loop Source Regions
4475	0.04	0.04	0.01	0	9.38	0
4583	0.01	0.01	0.01	0	12.5	0

▶pairlist.cpp: 281 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 281-285						Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 281-285
3656	0.01	0.01	0.01	0	6.25	3							3656	0.02	0.02	0.01	0	12.5	0

▶pairlist.cpp: 1316 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1316 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1322-1324						Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1322						Loop Source Regions
3739	0.01	0.01	0.01	0	6.25	0	3917	0.02	0.02	0.01	0	12.5	10.06

▶pme_grid.cpp: 440 - 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	Max Time Over Threads (s)	Time w.r.t. Wall Time (s)	Cov (%)	Vect. Ratio (%)	Vector Length Use (%)	GFLOP/s
Run gcc-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 440-442
												19959	0.06	0.06	0.02	100	100	0

▶pairlist.cpp: 1998 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1998-2000						Loop Source Regions
						3913	0.02	0.02	0.01	0	25	4.19

▶pairlist.cpp: 3238 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3238-3267						Loop Source Regions							Loop Source Regions
3728	0.02	0.02	0.01	2.44	6.86	0.5

▶pairlist.cpp: 3317 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3317-3328 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 3336-3340
												3740	0.03	0.03	0.01	0	12.5	0

▶partition.cpp: 643 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions	/ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1124-1124 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 643-645 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/domdec/ga2la.h: 99-101						Loop Source Regions
						4616	0.02	0.02	0.01	0	12.5	0

▶arrayref.h: 82 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 607-607 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1316-1326 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/nbnxm/pairlist.cpp: 1332-1332 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82
												3779	0.03	0.04	0.01	0	12.5	0

▶localtopology.cpp: 416 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 319-319 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 416-428 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 576-576
												4728	0.02	0.02	0.01	0	18.75	0

▶bonded.cpp: 1825 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 335-335 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1825-1826 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2290-2298 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2307-2325
												19556	0.03	0.03	0.01	13.64	14.77	0

▶vcm.cpp: 290 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/vcm.cpp: 290-292						Loop Source Regions
						13666	0.01	0.01	0.01	0	12.5	0.5

▶lincs.cpp: 1193 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions	/ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/mdlib/lincs.cpp: 1193-1195						Loop Source Regions
						13257	0.01	0.01	0.01	0	18.75	1

▶vcm.cpp: 143 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vec.h: 419-421 /home/eoseret/GROMACS/gromacs-2022.4/src/external/boost/stl_interfaces/iterator_interface.hpp: 305-305 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/vcm.cpp: 143-154 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/vcm.cpp: 191-206 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/mdlib/vcm.cpp: 214-215 /usr/include/c++/11/bits/stl_vector.h: 1046-1046 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/math/vectypes.h: 122-122
												18045	0.02	0.02	0.01	21.28	15.96	0

▶listed_forces.cpp: 419 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 419-426 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/listed_forces.cpp: 445-445 /home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 78-78 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/utilities.h: 57-57 /usr/include/c++/13.1.1/array: 213-213 /usr/include/c++/13.1.1/bits/stl_iterator.h: 1077-1077						Loop Source Regions							Loop Source Regions
15519	0.02	0.02	0.01	0	7.37	0

▶reversetopology.cpp: 140 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							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/reversetopology.cpp: 140-145						Loop Source Regions
						4716	0.01	0.01	0.01	0	12.5	0

▶mshift.cpp: 454 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions	/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: 243-245 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 454-481 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 491-503 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 510-510 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 518-558 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 565-565 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 592-599 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 608-627 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/src/gromacs/pbcutil/mshift.cpp: 643-643 /ccc/products2/gcc-12.2.0/Rhel_8__x86_64/system/default/include/c++/12.2.0/bits/stl_vector.h: 1124-1124 /ccc/work/cont001/ocre/oserete/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82						Loop Source Regions
						5280	0.01	0.01	0.01	21.58	21.04	1.5

▶pme_grid.cpp: 537 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_grid.cpp: 537-539
												19919	0.04	0.04	0.01	100	100	0

▶pme_spread.cpp: 277 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 277-277 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/ewald/pme_spread.cpp: 284-284						Loop Source Regions							Loop Source Regions
15871	0.03	0.03	0.01	0	6.94	2.67

▶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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 1996-2000 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/listed_forces/bonded.cpp: 2006-2008						Loop Source Regions							Loop Source Regions
15474	0.03	0.03	0.01	0	6.91	0

▶localtopology.cpp: 657 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/usr/include/c++/13.1.1/bits/stl_vector.h: 1145-1145 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 657-665 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 680-683 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/localtopology.cpp: 692-698						Loop Source Regions							Loop Source Regions
4430	0.02	0.02	0.01	0	9.38	0

▶ga2la.h: 84 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions							Loop Source Regions							Loop Source Regions	/usr/include/c++/11/bits/stl_iterator.h: 1007-1007 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/ga2la.h: 84-88 /usr/include/c++/11/bits/stl_vector.h: 1046-1046 /usr/include/c++/11/bits/stl_vector.h: 1189-1198 /usr/include/c++/11/ext/new_allocator.h: 156-156 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 525-525 /home/eoseret/GROMACS/gromacs-2022.4/src/gromacs/domdec/partition.cpp: 533-536
												4862	0.02	0.02	0.01	0	12.5	0

▶stl_algo.h: 574 - 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	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-skx							Run gcc-zen3							Run gcc-g3e
Loop Source Regions	/home/eoseret/GROMACS/gromacs-2022.4/api/legacy/include/gromacs/utility/arrayref.h: 82-82 /usr/include/c++/13.1.1/bits/stl_algo.h: 574-586						Loop Source Regions							Loop Source Regions
4391	0.01	0.01	0.01	0	11.46	0

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