[molpro-user] ACML error

[Andy May]

Tomas,

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

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,

Andy

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
> 
> 
> 
> 
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