Namd and CUDA on Debian Wheezy

From: Vlastimil Zíma (zima_at_karlov.mff.cuni.cz)
Date: Tue Feb 12 2013 - 07:11:38 CST

Hi,
I just installed new Debian machine and I wanted to share how I made
precompiled version of namd with CUDA work in response to this thread
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2011-2012/index.html#4057

It is fairly simple, the main problem is that CUDA runtime library is not
mentioned in the namd documentation. That causes the error "CUDA driver
version is insufficient for CUDA runtime version".

So here is what you need to do (64bit version):

sudo apt-get install linux-headers-amd64 nvidia-kernel-dkms
--no-insall-recommends #drivers itself
apt-get install nvidia-smi libcuda1 #monitoring and runtime library

If you have X server installed (on desktop), you need to remove nouveau
drivers

apt-get purge xserver-xorg-video-nouveau libdrm-nouveau1a

This is quick and debian way to make it work :)

I use DKMS, but yet easier way is to use precompiled nvidia module from
nvidia-kernel-amd64 package (I have not tested this, but it should be
equal).

In case you run into troubles, check that versions of your driver and CUDA
library matches:

dpkg -l '*cuda*' '*nvidia*'

Hope this helps,
Vlastimil

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