[molpro-user] gparam,lenbuf= ?
Krapnik
krapnik at gmail.com
Mon Jan 22 11:13:37 GMT 2007
Hello,
I have some questions about the integral file -
my SAPT systems are succesfully computed only until they reached writing of
integral file > 80 GB. (However I have free space of about 1.5 TB)
Am I right, that I can compute larger systems with usage of gparam,lenbuf in
input?
And if so, what number for lenbuf can I use and how it depends on the
architecture?
(I tried to find the number via manual, but manual does not speak about used
units)
--
Thank you
Karel "CaCO3" Berka
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20070122/d5a644c5/attachment.html>
More information about the Molpro-user
mailing list