Failure in dsyev - Itanium with MKL libs

[James A.J. Fitzpatrick]

Hi,

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.

---
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 bris.ac.uk
Web    : http://www.chm.bris.ac.uk/~chjajf