Itanium 2 and testjob failure

[James A.J. Fitzpatrick]

Hi,

Thanks to everyone who responded to my general headache with Itanium2 and 
Molpro. After some fiddling and tweaking in the right places Molpro 
compiles and links. All of the test jobs run perfectly, except 
h2o_cfopt_rhf.test which fails with the following error message in the 
RHF-SCF calculation after the geometry optimisation


ITERATION   DDIFF            GRAD            ENERGY        2-EL.EN. 
DIPOLE MOMENTS         DIIS   CPU(IT)  CPU(TOT)
    1      0.000D+00      0.000D+00????????????????????????????????? 
0.000000   0.000000  -1.622565    0      0.2      0.2   diag

 ? Error
 ? failure in dsyev
 ? The problem occurs in diag2

 ERROR EXIT
 CURRENT STACK:      MAIN

I am not sure if this is a bug, or some of the source has been optimised 
when it shouldn't of been. Any ideas or input welcomed.

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