[molpro-user] Fwd: CCSD(T) running time
Quan Phung
manhquank9 at gmail.com
Mon Jan 20 15:55:23 GMT 2014
Dear Molpro users,
Currently, I'm doing very large R-CCSD(T) calculations (with about 600
basis functions).
Based on my experience from other similar systems, I know that the
calculation will
take place at least 30 days. After running about 20 days, I noticed that
the system reported
the running time as a negative number -5965423h-14:-8, and it is just
hanging there (using htop or top). The processors are still running but I'm
not sure if the calculations continue or not.
Or is this a bug of molpro?
I need an advice: should I kill the job or let it there?
This is the screenshot of htop.
https://www.dropbox.com/s/yvh4s8ttsbu7hvf/Screenshot.png
Best regards,
Quan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20140120/ea3b7e24/attachment.html>
More information about the Molpro-user
mailing list