RE: About CUDA version

From: Vermaas, Joshua (
Date: Tue Sep 25 2018 - 15:06:54 CDT

Enabling CUDA support is an explicit switch from what I recall. You activate it with "--with-cuda" when configuring NAMD. A non-CUDA build is just a matter of compiling without having given the flag to configure.


On 2018-09-25 13:49:11-06:00 wrote:

OK I know that. Binaries have several options. I was thinking about
compiling from source and then use a switch to enable/disable the CUDA
capability. I didn't see that in the manual. Maybe I missed the point.


On Tue, Sep 25, 2018 at 10:34 PM Bassam Haddad <> wrote:
&gt; Donít use the cuda version of the NAMD.
&gt; On Tue, Sep 25, 2018 at 11:27 AM Mahmood Naderan <> wrote:
&gt;&gt; Hi
&gt;&gt; With the following command
&gt;&gt; /opt/NAMD_2.13b1_Linux-x86_64-multicore-CUDA/namd2 +p8 2_md.conf
&gt;&gt; I see that it automatically utilizes the GPU. I want to know, how can
&gt;&gt; I force namd to use CPU instead of GPU?
&gt;&gt; Regards,
&gt;&gt; Mahmood


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