[molpro-user] illegal implementation problem in openw?

[Andy May]

Grigory,

Does the error always occur when running the same input file, or does it 
sometimes work?

If the same job can sometimes work and sometimes fail I'd be inclined to 
suspect problems accessing the shared filesystem, perhaps a temporary 
network issue.

If the same job always fails, please send the details of the build, 
CONFIG file and input file and I'll try to reproduce the problem.

Best wishes,

Andy

On 01/04/14 16:05, Grigory Shamov wrote:
> Hi All,
>
> Our users encountered a strange problem; for some of the jobs Molpro stops
> right after reading basis set:
>
> =======
>
> Recomputing integrals since basis changed
>
> Using cartesian basis functions
>
> Library entry C      S cc-pVDZ              selected for orbital group  1
> [skipped]
> Library entry F      D cc-pVDZ              selected for orbital group  7
>
> impl= 2
> ? Error
> ? Illegal implementation number
> ? The problem occurs in openw
> =======
>
>
> Could you please suggest, what could be the reason for it?
>
> The "openw" routine seem to be a file opener? This build of Molpro 12.1 is
> a shared file, MVAPICH2 and this particular job ran on 2 cores of a single
> node, using $TMPDIR on a globally shared filesystem.
>
> --
> Grigory Shamov
>
> HPC Analyst, Westgrid/Compute Canada
> E2-588 EITC Building, University of Manitoba
> (204) 474-9625
>
>
>
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