<div dir="ltr"><p>I see.</p><div dir="ltr"><p>I was looking to do my dissertation for my Masters course in GPGPU on cientific calculation programs and GROMACS seemed appropriate.<br></p><p>Would any of the developers be interested in collaborating with me to make this happen, or should I look elsewhere, to OpenMM, like Jose Duarte said?</p>
<p>Best regards,</p><p> Tiago Marques</p><br><div class="gmail_quote"></div><div class="gmail_quote">On Tue, Sep 30, 2008 at 10:17 AM, Erik Lindahl <span dir="ltr"><<a href="mailto:lindahl@cbr.su.se" target="_blank">lindahl@cbr.su.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
Please search the list - all this stuff will be available in Gromacs once we have neighborlists and PME working, but that's non-trivial work ;-)<br>
<br>
Cheers,<br>
<br>
Erik<div><div class="Wj3C7c"><div><div><br>
<br>
On Sep 30, 2008, at 10:17 AM, Jose Duarte wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi Tiago<br>
<br>
I think this is precisely what the foldin@home people are doing. Apparently the just released a preview of the OpenMM API and they intend to release gromacs code using the API in December:<br>
<br>
<a href="https://simtk.org/project/xml/news.xml?group_id=161" target="_blank">https://simtk.org/project/xml/news.xml?group_id=161</a><br>
<br>
Maybe somebody on the list more familiar with this project can comment on that.<br>
<br>
Jose<br>
<br>
<br>
<br>
Tiago Marques wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Anyone?<br>
<br>
<br>
On Sat, Sep 27, 2008 at 1:50 AM, Tiago Marques <<a href="mailto:a28427@ua.pt" target="_blank">a28427@ua.pt</a> <mailto:<a href="mailto:a28427@ua.pt" target="_blank">a28427@ua.pt</a>>> wrote:<br>
<br>
Hello.<br>
<br>
Is any work being done to have GROMACS compute on GPUs?<br>
<br>
I'm interested in performing research in this area.<br>
<br>
Best regards,<br>
<br>
Tiago Marques<br>
<br>
<br>
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