| 11:32:16 AM PDT - Wed, Apr 1st 2015 |
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I partially retract my previous remarks: this job ran on a quad-core Intel i7 laptop in 24 minutes when I used all 4 cores with NWChem 6.5. It ran in 26 minutes when I used 2 cores.
I still expect Gaussian to be faster than NWChem on small jobs like this, but your result seems to be excessively slow. It may be that you have reached negative returns on parallelism by using 8 cores. The parallel scaling is obviously poor. What sort of speed do you get with 2 or 4 cores?
EDIT: also, given the poor parallel scaling, if your Xeon system is older it might be slower to complete a single calculation than a recent fast laptop. What is the model name reported for the CPUs in /proc/cpuinfo ?
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