POTIM=0.2/ "working-node" restarts/ ISIF=2/Selective dynamics mode

Message

tilak · #1 Post by **tilak** » Wed Sep 25, 2013 2:29 pm

Dear Users,

Do you have any experience related to the choice of lower value of POTIM=0.2 (default 0.5, vasp 5.2.12) and that perhaps restarts the "working-node" ??

I did such calculations using POTIM=0.5 and even up to as many as NSW (IBRION=2) steps were completed, I had no problem.

Now, I have changed only one thing POTIM=0.2 in another directory for the same system (quite heavy includes vacuum), and I am facing such problem, where working-node is restarting after some (10 to 15 or may be later, very randomly ) cycles, again and again!!

Thank you very much for your comments,
Regards
Tilak

<span class='smallblacktext'>[ Edited ]</span>

#2 Post by **admin** » Wed Oct 02, 2013 1:37 pm

this looks strange, and rather looks like a problem of your queuing system
the working node should not re-start, please ask your sys admin if
they have a problem with the stability of their machines currently.
It is definitely NOT related to the change of POTIM.