Re: namd2 CUDA errors for non-superusers in Debian

From: Aron Broom (
Date: Thu Feb 14 2013 - 17:31:26 CST

I'm a bit confused.

1) I don't see any errors

2) You are saying the SU gets errors? but your subject line says the
non-SU gets errors?

Either way, I can imagine it might simply be a problem with the library
path. You should be running NAMD using the cuda library that is shipped
with it, rather than the one that is part of the cuda libs. So if one of
you has set your LD_LIBRARY_PATH to be the NAMD install directory, and the
other hasn't, this kind of problem could occur. That's my best guess at
this point.


On Thu, Feb 14, 2013 at 5:28 PM, Blake Mertz <>wrote:

> Hello,
> I realize this may be an Nvidia-related issue, but I wanted to see if
> any namd users had run up against this problem as well. I'm running
> Debian wheezy with native Nvidia drivers and cuda libraries, and can
> run CUDA-accelerated pre-compiled binaries with the apoa1 benchmark
> system myself. I have another user who has superuser privileges. She
> gets the following error when running namd after ssh'ing in:
> namd2 +idlepoll +p4 +devices 0 apoa1.namd

Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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