Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1


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Forum Vet
SOCKETS recognized
Yes,
You were right by saying that SOCKETS got recognized. I forgot that was the backup in the ARMCI autoconf structure.

As far as the 6.3 vs 6.1 comparison is concerned, what kind of benchmark was it?
If it was DFT or HF, did you check if the SCF took the same number of iterations?

Thanks, Edo