Failure in dsyev - Itanium with MKL libs
matt at stchem.bham.ac.uk
Tue Aug 5 16:43:15 BST 2003
>>>>> James A J Fitzpatrick writes:
> I do however have a problem with linking in the intel MKL libs for
> the blas and lapack routines. MOLPRO links fine but the calculation
> fails when trying to calculate the 2-electron integrals with a
> "failure in dsyev" error message. I have looked in the source code
> and there is a note mentioning that some vendor lapack libs fail in
> dsyev, and I assume that is what is happening here.
This fix was specifically for the NEC version of DSYEV, but should not
affect other implementations adversely. Can you find out what value of
INFO is returned when it fails?
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