Failure in dsyev - Itanium with MKL libs

[James A.J. Fitzpatrick]

Hi Matt,

I put a write statement before and after the call to dsyev in 
src/util/util.f and lo and behold, info is equal to..

before dsyev 6917529027701845120
after dsyev  6917529027641081856

looks like its pointing to a random bit of memory, or its begin trodden on 
somewhere by something else.

James.

--On 05 August 2003 16:43 +0100 Matt Hodges <matt at stchem.bham.ac.uk> wrote:

>>>>>> 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?
>
> Matt
>



---
James A.J. Fitzpatrick
Laser Chemistry and Dynamics Group
School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
Telephone (Office) : +44 117 928 9938,
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Fax : +44 117 925 0612

E-mail : j.fitzpatrick at bris.ac.uk
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