NWChem 6.0 with Intel Compilers

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Forum Vet

2:02:07 PM PDT - Mon, Jul 18th 2011
This is the same issue as in another posting here. It seems like a compiler issue with Intel 11, as it works when compiled with GNU (gfortran I assume). Asked Shenggang if there is another version of the Intel compiler available. Bert Quote:Shenggangli Jun 14th 7:27 am Thank you very much for your reply. I can't post my output, but you can download them from the following links: http://dixon.chem.ua.edu/sli/wo3.1a1.c3v.tddft.b3lyp.ad.nw http://dixon.chem.ua.edu/sli/wo3.1a1.c3v.tddft.b3lyp.ad.nwout http://dixon.chem.ua.edu/sli/wo3.1a1.c3v.tddft.b3lyp.ad.err Please let me know if you need more information. Shenggang.