[molpro-user] ACML error

Andy May MayAJ1 at cardiff.ac.uk
Fri Dec 10 10:35:36 GMT 2010


Firstly, I recommend you upgrade to Molpro 2010, which is free for 2009

If the problem remains with 2010 we will need a copy of the CONFIG file
from the build, and also the input file you used to run the job in order
to track down the problem.

Best wishes,


On 10/12/10 08:52, Tomáš Šolomek wrote:
> 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.
> tomas
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

More information about the Molpro-user mailing list