[molpro-user] ACML error

Tomáš Šolomek tom.solomek at gmail.com
Fri Dec 10 08:52:42 GMT 2010

Dear Users,

I am receiving an error message in various versions of Molpro whenever I try
to run a MS-CASPT2 job for my compound (which is acetophenone). The error I
am getting is:

** ACML error: on entry to DSYEV the parameter number 8 had an illegal value

I tried to run the job in Molpro 2006 or 2009 and get the same result. DSYEV
seems to be a routine for computing the eigenvectors and eigenvalues of a
symmetric matrix.
Any advice on overcoming this problem is appreciated.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20101210/921e1560/attachment.html>

More information about the Molpro-user mailing list