On Tue, Sep 3, 2013 at 11:01 AM, Sanjib Paul <sanjib88paul.gmail.com> wrote:
> Dear Amber users and Developers,
> We are trying to install
> AMBER12 in a GPU cluster which contains centOS 6.3 operating system. There
> is no error message coming during compilation. When we run some job through
> SANDER, it is running fine, but at the beginning of output file it is
> showing like that.
> -------------------------------------------------------
> Amber 11 SANDER 2010
> -------------------------------------------------------
>
> But when we are trying to run a job through pmemd.cuda, program is going
> on. But in the output file nothing is coming except.
>
> -------------------------------------------------------
> Amber 11 SANDER 2010
> -------------------------------------------------------
>
> Program uses 99% memory of the GPU card. We did not understand what to do.
> Can anyone help us?
>
>
Update your installation and recompile everything. Just running configure
(and saying "yes" when asked to apply updates) should do it. Make sure you
recompile everything (you should see the header change to "Amber 12 SANDER"
if you were successful.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Sep 03 2013 - 09:30:02 PDT
