vasp_benchmark

Benchmark test for checking PC speed using VASP code.

Small calculation

Calculatoin: Structure optimization of wurtzite-ZnO using VASP.

option	values
ZnO supercell	Zn*2, O*2
Cutoff	500eV
EDIFF	0.0001
kpt	7x7x4
EDIFFG	0.0001
ISIF	3
Download .tar file	http://www.edge.iis.u-tokyo.ac.jp/vasp/speed-chk-small.tar

Results

CPU	# of parallel	Elapsed time (sec)	Compiler, Library, etc.	VASP version	# of iteration	OS
Pentium 4 3.0GHz	1	405.700	MKL	VASP.4.6.12	8	CentOS
Pentium D 2.8GHz	2	366.748	ATLAS	VASP.4.6.12	8	CentOS
Pentium D 2.8GHz	2	145.897	MKL	VASP.4.6.31	8	CentOS
Athlon 4.4+GHz	2	157.976	ATLAS	VASP.4.6.12	8	CentOS
Core2Duo 2.4GHz	2	103.	MKL	VASP.4.6.12	8	8
Core2Quad 2.4GHz	4	107.071	MKL	VASP.4.6.28	8	CentOS
Core2Quad 2.66GHz	4	98.455	MKL	VASP.4.6.28	8	CentOS
Core2Quad 2.83Hz	4	89.891	MKL	VASP.4.6.28	8	CentOS
HA8000 情報基盤センター	16	39.550	MKL	vasp.4.6.36	8	CentOS
Core i7 3.2GHz (si1)	4	45.738	MKL	vasp.5.2.2	8	CentOS
Core i7 2600k 3.4GHz	4	38.676	MKL	vasp.5.2.2	8	CentOS
Core i7 4770k 3.4GHz	4	18.084	MKL	vasp.5.3.2	8	CentOS
Core i7 6770 3.4GHz	4	16.536	MKL	vasp.5.3.2	8	CentOS
Core i7 6770 3.4GHz HT on	8	18.212	MKL	vasp.5.3.2	8	CentOS
XeonE5-2630 2.2GHz (tt30)	20	14.685	MKL	vasp.5.3.2	8	CentOS
XeonE5-2680 2.8GHz (ex1)	20	8.568	MKL	vasp.5.3.2	8	CentOS
Core i9 9940X 3.3GHz (i8)	12	8.433	MKL	vasp.6.1.2	8	CentOS
Core(TM) i7-1265U (thinkpad)	12	17.036	MKL	vasp.6.3.0	5	Win11-wsl2 Ubunt
Core(TM) i7-1265U (thinkpad)	4	12.639	MKL	vasp.6.3.0	5	Win11-wsl2 Ubunt
Core(TM) i7-1265U (thinkpad)	2	14.272	MKL	vasp.6.3.0	8	Win11-wsl2 Ubunt
Core(TM) i7-1265U (thinkpad)	1	19.755	MKL	vasp.6.3.0	8	Win11-wsl2 Ubunt

Large calculation

Calculatoin: Structure optimization of alpha-Al2O3 using VASP.

option	values
Al2O3 supercell	Al*48, O*72
Cutoff	500eV
EDIFF	0.0001
kpt	1x1x1 Gamma
EDIFFG	0.001
ISIF	3
Download .tar file	http://www.edge.iis.u-tokyo.ac.jp/vasp/speed-chk-large.tar

Results

CPU	# of parallel	Elapsed time (sec)	Compiler, Library, etc.	VASP version	# of iteration
Pentium D 3.2GHz x 2	4	2289.064	MKL	VASP.4.6.28	11
Core2Quad 2.83Hz	4	1896.565	MKL	VASP.4.6.12	11
Core2Quad 2.83Hz x 2	8	1748.101	MKL	VASP.4.6.35	11
Core i7 3.2GHz (si1)	4	613.133	MKL	vasp.5.2.2	5
XeonE5-2630 2.2GHz (tt30)	20	124.397	MKL	vasp.5.3.2	5
Core i9 7920X 2.9GHz (tt1)	12	124.128	MKL	vasp.5.4.1	5
Core i9 9940X 3.3GHz (i9)	12	150.138	MKL	vasp.5.4.1	5
Core i9 10920X 3.5GHz (i17)	12	129.480	MKL	vasp.6.1.2	5
Xeon Silver4114 2.2GHz (xx1)	20	62.866	MKL	vasp.5.4.4	5
Xeon Gold6130 2.1GHz (gx1)	32	40.213	MKL	vasp.5.4.4	5