<div dir="ltr">Hello Matthis,<div><br></div><div>I increase the walltime of my job. Now it's working fine.</div><div><br></div><div>Thanks,</div><div>Sumit</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, May 8, 2021 at 5:57 PM Krack Matthias (PSI) <<a href="mailto:matthi...@psi.ch">matthi...@psi.ch</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">





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<p class="MsoNormal"><span>Hi Sumit<u></u><u></u></span></p>
<p class="MsoNormal"><span><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB">Did you check the output file? Maybe, your job hit an execution time limit.<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB">Matthias<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><b>Von:</b> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a> <<a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>>
<b>Im Auftrag von </b>sumit agrawal<br>
<b>Gesendet:</b> Samstag, 8. Mai 2021 10:24<br>
<b>An:</b> <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a><br>
<b>Betreff:</b> [CP2K:15315] Number of steps not matching<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Hii,<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">I am trying to equilibrate my system for 2000 steps (1ps). And after completion of this I'm getting only 865 steps (0.43 ps) in my .ener file. Can anybody help me on this?<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Thanks,<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Sumit<u></u><u></u></p>
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