RE: Automatic GPU selection in NAMD ?

From: Jesper Sørensen (
Date: Tue May 17 2011 - 05:05:27 CDT

Hi David,

If you just leave out the "+devices x,x,x" it will use any available GPU's
on the nodes that you have requested, at least that works for us and we have
3 GPU's per node. I will say that we have compiled NAMD with MPI and I don't
know if that makes a difference.


-----Original Message-----
From: [] On Behalf
Of David McGiven
Sent: 17. maj 2011 11:59
To: namd-l
Subject: namd-l: Automatic GPU selection in NAMD ?

Dear NAMD Users,

Is there any way to tell NAMD to use a number of GPU's, but not the specific
device numbers ?

Normally one would do :

namd ++idplepoll [...] +devices 0,1 (for 2 GPU's) or namd ++idplepoll [...]
+devices 0,1,2,3 (for 4 GPU's)

But I would like not to state the specific device numbers, but rather, just
"use 2 GPU's".

This is because the cluster users do not know which GPU's are in use or not.

I know the best setup is to have one GPU per machine, and then one avoids
this kind of problems. But it's now like that and I would like to know if
someone has found any simple solution, or if NAMD has a command for that (I
Haven't found it in documentation).



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