[molpro-user] Molpro not clearing memory

Jesse Kadosh jkadosh at ualberta.ca
Tue Aug 10 17:52:30 BST 2004

Dear Molpro Users:

I am running Molpro on part of a cluster (one machine) as part of a molecular 
dynamics simulation for fromaldehyde.  Currently, Molpro is used to calculate 
gradients of both energy and dipole moments once per step for 5000+ steps.

The program works, but whenever Molpro is called it does not release memory, 
causing a progressively more serious memory shortage until the machine is 
rebooted.  I would be most grateful if anyone can advise on how to prevent 

The cluster has two Opteron 246 (2 GHz) processors (4 GB memory), but the 
problem also exists on a local machine with two Pentium 4 (3.00 GHz) 
processors (1 GB memory).


Jesse Kadosh

More information about the Molpro-user mailing list