Quote:Edoapra Oct 21st 9:32 amMike
Thank you very much for the detailed report.
After a quick look at your results, only the pspw and paw seem to exhibit serious issues.
I will try to reproduce your problem. I have a few questions about your build.
Did you set the BLASOPT env. at all?
What is the output you get of the following commands
gcc -v
rpm -q -i gcc
ldd $NWCHEM_TOP/bin/LINUX64/nwchem
And to confirm - BLASOPT wasn't set. Having the value unset means that Nwchem falls back to its own copies of the netlib reference versions of BLAS and LAPACK?
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