Failure in dsyev - Itanium with MKL libs

James A.J. Fitzpatrick J.Fitzpatrick at
Tue Aug 5 16:20:22 BST 2003


I have successfully got MOLPRO 2002 to complie and run on a 4 processor 
Itanium box with efc 7.1, and the configure script will work fine as long 
as you usr ./configure -efc -i8 and have IA64ROOT set to the correct 
location /opt/intel/compiler/70/ia64 in my case.

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.

If anyone has any ideas they are welcomed as this is a current sticking 
point, and we only have so long long to evaluate this box!

Thanks in advance.

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,
Telephone (Lab)    : +44 117 928 8187
Fax : +44 117 925 0612

E-mail : j.fitzpatrick at
Web    :

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