[molpro-user] error in test jobs

bhaskar sharma bhaskars1984 at gmail.com
Fri Aug 16 05:40:45 BST 2013

Dear Molpro Users and Developers

This is my first mail to the forum. Recently I have successfully installed
molpro-2012.1.3 on a blade server. However while doing the test
calculations some of the test jobs gave the following error.

 *** Long output written to logfile
/share/apps/Molpro/testjobs/au2o_optdftecp1.log ***

 Geometry optimization using default procedure for command KS-SCF

 Geometry written to block  1 of record 700

 Making model hessian for Z-matrix coordinates

 Quadratic Steepest Descent - Minimum Search
 RECORD=    1800.2  requested length=         556
 ? Error
 ? Reservem called with mpp_state=2
 ? The problem occurs in Reservem
au2o_optdftecp1.test: ERRORS DETECTED: non-zero return code ... inspect

Any help would be greatly appreciated

Here I am attaching the CONFIG file

Thanks in advance

Bhaskar Sharma
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