<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Justin A. Lemkul wrote:<br><div><blockquote type="cite">Ours is gcc-4.4.6 on a local machine using Cuda 3.2. On our university's GPU <br>cluster, the installation was done with gcc-4.3.4 and Cuda 3.1. I have not <br>tested Cuda 4.0, though it has recently become available to us so it might be <br>worth a shot to see if this is another issue.<br></blockquote><br></div><div>I've just noticed that issue 757 (initial temperature set to 0 for mdrun-gpu) has also arisen in my simulations. Do you know if the source of this error, and if there is a workaround for it?</div><div><br></div><div>Have you been able to run production simulations using mdrun-gpu?</div><div><br></div><div>Thanks and best wishes</div><div><br></div><div>Ben</div><div><br class="webkit-block-placeholder"></div><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>--</div><div>Dr Benjamin A Hall</div><div>Centre for Computational Science, Department of Chemistry, UCL</div><div><a href="mailto:benjamin.a.hall@ucl.ac.uk">benjamin.a.hall@ucl.ac.uk</a></div><div><br></div></div></span><br class="Apple-interchange-newline"></span><br class="Apple-interchange-newline">
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