https://wiki.uni-due.de/vilaverde/index.php?action=history&feed=atom&title=File%3AGromacs_1GPU_nCPUs_multiRun.sh 2026-05-24T11:32:19Z Revision history for this page on the wiki MediaWiki 1.39.10 https://wiki.uni-due.de/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh&diff=187&oldid=prev 2022-05-09T11:16:33Z

<p>Vilaverde uploaded a new version of <a href="/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh" title="File:Gromacs 1GPU nCPUs multiRun.sh">File:Gromacs 1GPU nCPUs multiRun.sh</a></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <tr class="diff-title" lang="en"> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 13:16, 9 May 2022</td> </tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div> </td></tr></table>

Vilaverde https://wiki.uni-due.de/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh&diff=184&oldid=prev 2022-05-09T10:14:47Z

<p><span dir="auto"><span class="autocomment">Summary</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:14, 9 May 2022</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>== Summary ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>== Summary ==</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; 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>SLURM script to run simultaneous <del style="font-weight: bold; text-decoration: none;">1 GPU</del>: n CPU Gromacs jobs.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; 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>SLURM script to run <ins style="font-weight: bold; text-decoration: none;">1 or more </ins>simultaneous <ins style="font-weight: bold; text-decoration: none;">1GPU</ins>:n CPU Gromacs jobs.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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;"><br/></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; 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>Each simulation will run on the SAME GPU but DIFFERENT CPUs.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; 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>Each simulation will run on the SAME GPU but DIFFERENT CPUs. <ins style="font-weight: bold; text-decoration: none;"> Depending on system size and runtime options, it may be possible to run multiple simultaneous simulations in </ins>the <ins style="font-weight: bold; text-decoration: none;">same </ins>GPU <ins style="font-weight: bold; text-decoration: none;">with little loss in performance.</ins></div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; 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> </div></td><td colspan="2" class="diff-side-added"></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; 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 style="font-weight: bold; text-decoration: none;">USEFUL when each simulation uses &lt;50% of </del>the GPU</div></td><td colspan="2" class="diff-side-added"></td></tr> </table>

Vilaverde https://wiki.uni-due.de/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh&diff=183&oldid=prev 2022-05-09T10:12:14Z

<p>Vilaverde uploaded a new version of <a href="/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh" title="File:Gromacs 1GPU nCPUs multiRun.sh">File:Gromacs 1GPU nCPUs multiRun.sh</a></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <tr class="diff-title" lang="en"> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:12, 9 May 2022</td> </tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div> </td></tr></table>

Vilaverde https://wiki.uni-due.de/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh&diff=175&oldid=prev 2022-05-06T17:33:18Z

<p>Vilaverde uploaded a new version of <a href="/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh" title="File:Gromacs 1GPU nCPUs multiRun.sh">File:Gromacs 1GPU nCPUs multiRun.sh</a></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <tr class="diff-title" lang="en"> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:33, 6 May 2022</td> </tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div> </td></tr></table>

Vilaverde https://wiki.uni-due.de/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh&diff=171&oldid=prev 2022-05-06T16:22:24Z

<p><span dir="auto"><span class="autocomment">Summary</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 18:22, 6 May 2022</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>== Summary ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>== Summary ==</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>SLURM script to run simultaneous 1 GPU: n CPU Gromacs jobs.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>SLURM script to run simultaneous 1 GPU: n CPU Gromacs jobs.</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; 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 style="font-weight: bold; text-decoration: none;"> </del>Each simulation will run on the SAME GPU but DIFFERENT CPUs.</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; 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> </div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; 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>Each simulation will run on the SAME GPU but DIFFERENT CPUs.</div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; 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> </div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>USEFUL when each simulation uses &lt;50% of the GPU</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; 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>USEFUL when each simulation uses &lt;50% of the GPU</div></td></tr> </table>

Vilaverde https://wiki.uni-due.de/vilaverde/index.php?title=File:Gromacs_1GPU_nCPUs_multiRun.sh&diff=170&oldid=prev 2022-05-06T16:21:38Z

<p>SLURM script to run simultaneous 1 GPU: n CPU Gromacs jobs. Each simulation will run on the SAME GPU but DIFFERENT CPUs. USEFUL when each simulation uses &lt;50% of the GPU</p> <p><b>New page</b></p><div>== Summary ==<br /> SLURM script to run simultaneous 1 GPU: n CPU Gromacs jobs.<br /> Each simulation will run on the SAME GPU but DIFFERENT CPUs.<br /> USEFUL when each simulation uses &lt;50% of the GPU</div>

Vilaverde