<div dir="ltr">There are some (relatively) low-hanging fruit development possibilities related to heterogeneous architectures and low-level communication libraries that require extensive technical knowledge, but perhaps less algorithmic and application-specific insight.<div><br></div><div>If you have experience with & interest in these topics, we could discuss further details.</div><div><br></div><div>Cheers,</div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature">--<br>Szilárd</div></div>
<br><div class="gmail_quote">On Mon, Sep 21, 2015 at 7:52 PM, Sabyasachi Sahoo <span dir="ltr"><<a href="mailto:ssahoo.iisc@gmail.com" target="_blank">ssahoo.iisc@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><span style="font-size:12.8000001907349px">Dear Gromacs developers,</span><span class=""><div style="font-size:12.8000001907349px"><br></div><div style="font-size:12.8000001907349px">I am a parallel programming researcher and would like to contribute to Gromacs molecular dynamics software by helping to nail down any bottlenecks that occur in scaling of the software on multiple CPUs (and probably improved performance in exa-scale era.) I am already in process of collecting profiling results to identify the phases that can be improved (and also for few other MD softwares).</div><div style="font-size:12.8000001907349px"><br></div><div style="font-size:12.8000001907349px">Hence, I would request all of you to please suggest me some possible areas of research, on which we can work on, for better scaling of Gromacs, (and/or MD softwares in general.) Going through the official website documentation helps me realise that implementing a truly parallel FFT (or making it scale better) in Gromacs will be truly helpful. The latest paper on Gromacs 5.0 concludes saying an algorithm implementing preempting fine grained tasks based on priority can lead to improvements. I am also trying to look into it and would want to know your take on this.</div><div style="font-size:12.8000001907349px"><br></div><div style="font-size:12.8000001907349px">You could also direct me to the link on the website, or any person concerned with this. You could also point me to any link in developer zone that I might have missed. Any more insight into matter will be really appreciated.</div><div style="font-size:12.8000001907349px"><br></div><div style="font-size:12.8000001907349px">Thanks in advance.</div><div><br></div></span><span class="HOEnZb"><font color="#888888">-- <br></font></span><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><span class="HOEnZb"><font color="#888888">Yours sincerely,<div>Sabyasachi Sahoo</div></font></span><span class=""><div><div style="font-size:small">Supercomputer Education & Research Center<br></div><div style="font-size:small">Indian Institute of Science - Bangalore</div></div></span></div></div></div></div></div></div></div></div>
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