[molpro-user] Too many records - reservem

Gabriel Freitas gabrielnfreitas at gmail.com
Sat Jun 29 15:08:39 BST 2013

Dear Molpro developers / users,

I'm running single state, RHF-QCISD(T) AIMS trajectories in serial Molpro
2012 (non-trial version), and my jobs end prematurely with the following
message (always on the 251th timestep of the job):

 More than                   512  records on file                     2
 ? Error
 ? Too many records
 ? The problem occurs in reservem

It happens even though I export a large enough tmp directory (export
TMPDIR=<tmpdir>) and adds it with -d option (molpro -d <tmpdir> job). The
drive of this directory has 83 GB free.

How can I avoid it? Can I "flush" the memory corresponding to the previous
steps, regarding the information I need is printed in the AIMS outputs?

Best regards,

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