CCL:G: Memory and CPU Time

> Or try ORCA..  very efficient and free..

I agree.

 

Jim

 

From: owner-chemistry+ccl_nospam==kressworks.com%x%ccl.net [mailto:owner-chemistry+ccl_nospam==kressworks.com%x%ccl.net] On Behalf Of John McKelvey jmmckel||gmail.com
Sent: Sunday, February 05, 2012 9:16 PM
To: Kress, Jim
Subject: CCL:G: Memory and CPU Time

 

Or try ORCA..  very efficient and free..

On Sun, Feb 5, 2012 at 8:07 AM, Max J Prendergast eneas.:.usal.es <owner-chemistry.:.ccl.net> wrote:


Sent to CCL by: "Max J Prendergast" [eneas-*-usal.es]
How to know that a particular JOB will take how much memory and CPU
time in gaussian 03/09 program ? Is there any keyword to calculate the same
without performing calculation. I know that how to define the memory and
diskspace in gaussian But need to know how much value should put there.
   Thanks in advance.

If your are managing calculations in personal computers, Gaussian is a very annoying software. However, is best for run in parallel. There are a table about memory space in the Gaussian website about parameters to optimaze properly the calculation, nevertheless, its terrible if you try to run in single machines

I strongly recommend use jaguar: is better than gaussian and you donthave to manage CPU and space memory.

Cheers



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