https://snicdocs.nsc.liu.se/w/index.php?title=Course:_Efficient_MD_simulations_at_HPC2N_(February_2019)&feed=atom&action=history
Course: Efficient MD simulations at HPC2N (February 2019) - Revision history
2024-03-28T18:57:27Z
Revision history for this page on the wiki
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https://snicdocs.nsc.liu.se/w/index.php?title=Course:_Efficient_MD_simulations_at_HPC2N_(February_2019)&diff=7317&oldid=prev
Torben Rasmussen (NSC) at 08:09, 28 February 2020
2020-02-28T08:09:28Z
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<tr><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|location=Umeå</div></td><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|location=Umeå</div></td></tr>
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Torben Rasmussen (NSC)
https://snicdocs.nsc.liu.se/w/index.php?title=Course:_Efficient_MD_simulations_at_HPC2N_(February_2019)&diff=6965&oldid=prev
Birgitte Brydsoe (HPC2N) at 16:14, 11 December 2018
2018-12-11T16:14:34Z
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<td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 16:14, 11 December 2018</td>
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<tr><td class='diff-marker'>−</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|description=<del class="diffchange diffchange-inline">Introduction to </del>HPC2N  </div></td><td class='diff-marker'>+</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>|description=<ins class="diffchange diffchange-inline">Efficient MD simulations at </ins>HPC2N  </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|fields=High performance computing, Molecular Dynamics</div></td><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|fields=High performance computing, Molecular Dynamics</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|event type=Course</div></td><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>|event type=Course</div></td></tr>
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<tr><td class='diff-marker'>−</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">    </del>Performance analysis of different versions of the packages</div></td><td class='diff-marker'>+</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">* </ins>Performance analysis of different versions of the packages</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">    </del>Performance analysis on different architectures (CPU, GPU, KNL)</div></td><td class='diff-marker'>+</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">* </ins>Performance analysis on different architectures (CPU, GPU, KNL)</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del class="diffchange diffchange-inline">    </del>General recommendations when using plugins.  </div></td><td class='diff-marker'>+</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins class="diffchange diffchange-inline">* </ins>General recommendations when using plugins.  </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"></td><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"></td></tr>
<tr><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Participation is free and open to all existing and prospective users of HPC from Swedish institutions. Coffee and lunch will be provided.</div></td><td class='diff-marker'> </td><td style="background-color: #f8f9fa; color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Participation is free and open to all existing and prospective users of HPC from Swedish institutions. Coffee and lunch will be provided.</div></td></tr>
</table>
Birgitte Brydsoe (HPC2N)
https://snicdocs.nsc.liu.se/w/index.php?title=Course:_Efficient_MD_simulations_at_HPC2N_(February_2019)&diff=6964&oldid=prev
Birgitte Brydsoe (HPC2N): Created page with "{{training event info |description=Introduction to HPC2N |fields=High performance computing, Molecular Dynamics |event type=Course |location=Umeå |start date=2019-02-21 |end da..."
2018-12-11T16:13:51Z
<p>Created page with "{{training event info |description=Introduction to HPC2N |fields=High performance computing, Molecular Dynamics |event type=Course |location=Umeå |start date=2019-02-21 |end da..."</p>
<p><b>New page</b></p><div>{{training event info<br />
|description=Introduction to HPC2N <br />
|fields=High performance computing, Molecular Dynamics<br />
|event type=Course<br />
|location=Umeå<br />
|start date=2019-02-21<br />
|end date=2019-02-21<br />
}}<br />
<br />
== Course overview ==<br />
The aim of the course is to provide MD users with a set of best practices to improve the performance of their simulations. This will be accomplished by tuning the appropriate SLURM switches and flags proper to the MD packages.<br />
<br />
Topics to be covered are:<br />
<br />
Performance analysis of different versions of the packages<br />
Performance analysis on different architectures (CPU, GPU, KNL)<br />
General recommendations when using plugins. <br />
<br />
Participation is free and open to all existing and prospective users of HPC from Swedish institutions. Coffee and lunch will be provided.<br />
<br />
Please bring your laptop for the hands-on. <br />
<br />
== Course web page and registration ==<br />
For more information and registration refer to the <br />
[https://www.hpc2n.umu.se/events/courses/md-course-spring-2019 Course webpage]</div>
Birgitte Brydsoe (HPC2N)