[gmx-developers] [Fwd: CUDA version on Athena (fwd)]

[Szilárd Páll]

Hi Justin,

Gromacs 4.5.x + OpenMM 2.0 has been tested with only CUDA 3.x. There
have been no complaints regarding CUDA 4.0, but that's of course not a
very strong indicator whether it works or not.

In reality the OpenMM integration would require some attention
including testing and possibly upgrade to OpenMM v3, but unfortunately
I don't have time for that now.

Cheers,
--
Szilárd



On Mon, Oct 10, 2011 at 9:39 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
> I was hoping to get the developers' comments on the message below.  Is there
> any known compatibility issue with CUDA versions?  I know very little about
> such things, but if either Gromacs or OpenMM require a certain CUDA version,
> I'd like to alert out sysadmins before they obliterate our ability to use
> Gromacs on our fastest supercomputer :)
>
> Thanks in advance for any comments.
>
> -Justin
>
>
> ---------- Forwarded message ----------
> Subject: CUDA version on Athena
>
> We have received many requests for newer version of the CUDA libs and
> drivers
> and have a two nodes reserved for CUDA 3.2 testing and I'm working
> on two nodes for CUDA 4.0 testing.  The CUDA 4.0 will be reserved for
> some initial testing.  Once complete, I'd like existing CUDA apps,
> compiled with CUDA 3.1 libs test on the 4.0 test nodes.
>
> If this upgrade does not impact applications, we could upgrade all GPU
> assisted nodes the CUDA 4.0 libs during the Nov 28 scheduled maintenance.
> Please reply all with any questions/concerns.
> --
> .. Tim Rhodes
> .. NI&S-Systems Support, Virginia Tech
>
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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