Gaussian 09 Benchmarks

This version (2022/06/20 09:01) was approved by msiegel.

Test calculations to compare the performance of the PGI and the Intel Compiler have been performed using a modification of a test case (/opt/sw/g09_RevC.01/g09/tests/com/test445.com) included in the Gaussian 09 distribution. The input file can be downloaded here: test445.com

The benchmark has been executed on one node on VSC-2, varying the number of cores used from 1 to 16. A node on VSC-2 has the following specifications: 2 AMD Opteron 6132HE processors with 8 cores each, running at 2.2GHz with 32GB Memory. Four benchmark runs have been performed:

G09 Rev. C.01 (pgi compiler)
G09 Rev. A (pgi compiler)
G09 Rev. C.01 (Intel compiler)
G09 Rev. D.01 (Intel compiler)

The graphics below show absolut runtimes and speedup with respect to the runtime on a single core:

	runtime [s]
Cores	Rev C.01 (pgi)	Rev A (pgi)	Rev C.01 (intel)	Rev D.01 (intel)
1	2601.69	2231.61	1737.40	2610.67
2	1392.94	1207.94	941.93	1352.55
3	993.51	879.27	694.98	924.40
4	803.45	716.00	555.60	709.20
5	688.86	619.39	485.60	586.53
6	615.51	561.91	433.74	505.58
7	555.29	518.25	396.03	445.79
8	511.18	468.08	366.20	398.77
9	483.10	454.94	349.34	368.17
10	459.21	429.43	333.09	340.96
11	449.58	420.08	325.67	331.00
12	427.84	398.71	321.51	308.05
13	407.58	388.91	312.60	303.42
14	398.24	385.33	313.37	299.57
15	391.89	378.16	320.99	300.93
16	380.98	363.51	327.75	307.51

Gaussian 09 Benchmarks

VSC-2: benchmarks for test445.com (B3LYP)