[molpro-user] Molpro not clearing memory

Charles Edwin Webster webster at mail.chem.tamu.edu
Tue Aug 10 18:10:12 BST 2004

dear jesse,

use "ipcs" and "ipcrm" (which are used to display and clean up
shared memory from applications, ipc=inter-process

(G-XX uses a csh script named 'clearipc' to use ipc commands
to clean up memory.)

issue the command 'ipcs', which will give a list of memory
allocations.  use the shmid to remove them with 'ipcrm'.


$ ipcrm
usage: ipcrm {shm | msg | sem} id ...



------ Shared Memory Segments --------
key        shmid      owner      perms      bytes      nattch     status
0x00000000 1146883    user    777        393216     2          dest

$ ipcrm shm 1146883
resource(s) deleted



Jesse Kadosh wrote:

> 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
> this.
> 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).
> Sincerely,
> Jesse Kadosh

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