CCL: The estimation of CCSD(T) calcualtion of disk and memory size?
- From: Karol Langner <karol.langner^^^kn.pl>
- Subject: CCL: The estimation of CCSD(T) calcualtion of disk and
memory size?
- Date: Thu, 4 Oct 2007 21:01:37 -0400
Sent to CCL by: Karol Langner [karol.langner{}kn.pl]
On Thursday 04 October 2007 09:46, bo li libo7807||googlemail.com wrote:
> Hello,
>
> Does anyone know how to estimate the CCSD(T) calculations size based
> on such as basis function and atom numbers in the calcuations? In another
> word, how many disk and memory needed?
>
>
> thanks in advance,
> Bo Li
Bo,
This message from the Molpro list might help you to some extent:
http://www.molpro.net/molpro-user/archive/all/msg00619.html
Best,
Karol
--
written by Karol Langner
Thu Oct 4 21:00:57 EDT 2007