Hi!<br><br>If I may ask, but what is the gromacs version that is planned on the roadmap to begin to work with the newer version of openmm? Specially interested due to ATI support<br><br>Regards<br><br>Jones<br><br><div class="gmail_quote">
On Thu, Aug 18, 2011 at 10:01 PM, Szilárd Páll <span dir="ltr"><<a href="mailto:szilard.pall@cbr.su.se">szilard.pall@cbr.su.se</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi,<br>
<br>
Gromacs 4.5.x works only with OpenMM 2.x. You might be able to use<br>
CUDA 4.0, but you will probably have to recompile OpenMM from source.<br>
<br>
Cheers,<br>
--<br>
Szilárd<br>
<div><div></div><div class="h5"><br>
<br>
<br>
On Fri, Aug 19, 2011 at 2:23 AM, Park, Jae Hyun nmn <<a href="mailto:parkj@ornl.gov">parkj@ornl.gov</a>> wrote:<br>
> Dear GMX users,<br>
><br>
><br>
><br>
> I am installing GMX 4.5.3 with GPU.<br>
><br>
> But, the CUDA in my GPU machine is ver 4.0. Can I use this version of CUDA<br>
> and openmm-3.1.1? Or, do I have to re-install CUDA 3.2 and openmm-2.0 as<br>
> described in manual?<br>
><br>
><br>
><br>
> Thank you in advance for your kind instruction.<br>
><br>
> Jae H. Park<br>
><br>
><br>
><br>
><br>
><br>
> =======================<br>
><br>
> Jae Hyun Park, Ph. D.<br>
><br>
> Physics Division<br>
><br>
> Oak Ridge National Laboratory<br>
><br>
> PO. Box 2008, MS-6372<br>
><br>
> Oak Ridge, TN 37831<br>
><br>
> Phone <a href="tel:%28865%29%20241-1482" value="+18652411482">(865) 241-1482</a><br>
><br>
> E-mail <a href="mailto:parkj@ornl.gov">parkj@ornl.gov</a><br>
><br>
><br>
><br>
</div></div>> --<br>
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