[molpro-user] error in running molpro job-reg

Sandhiya Lakshmanan sandhiyabu7 at gmail.com
Wed Sep 19 11:23:04 BST 2012

Dear Sir,
     We wish to use molpro package for doing some ab initio calculations.
Initially, we installed the trial version of molpro.
We tried to do optimization using caspt2 method. The job is running for
about half an hour and after that it terminates with the error,

*GLOBAL ERROR fehler on processor   2
* ? Error*
* ? Time limit exceeded!*
* ? The problem occurs in check_timelimit*
Some simple calculations that takes only a small time to run is running
successfully within half an hour.
Is there any time limit to be mentioned while running the job?
We would be appreciated if we let know the solution for this problem. I
have herewith attached the input and output files for your kind reference.

Thanking you,

Yours sincerely,
Research Scholar,
C/O Dr. K. Senthilkumar,
Department of Physics,
Bharathiar University,
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