Automatic GPU selection in NAMD ?

From: David McGiven (
Date: Tue May 17 2011 - 04:58:56 CDT

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)
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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