From NWChem
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Just Got Here
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| 3:30:20 PM PST - Tue, Nov 20th 2012 |
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Quote:Edoapra Nov 20th 2:20 pmAsa,
We have a limited experience with ifort from the Intel 2013 bundle,
but we have already seen quite a few routines generating incorrect results.
If you have access to an older version of Intel compilers, I would suggest you to switch to it or,
as a second -- even safer -- alternative, you might want to use gfortran.
Thanks, I will try gfortran. I have limited experience with nwchem, does the error below mean anything, just curious..?
Error in pstein5. eval is different on processors 0 and 1
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