<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><div>Hi Pascal,</div><div id="AppleMailSignature"><br></div><div id="AppleMailSignature">Create a redmine entry with the full output of that test; that way we can usually fix it faster even if we can't find the right compiler/OS combo to reproduce it.</div><div id="AppleMailSignature"><br></div><div id="AppleMailSignature">Cheers,</div><div id="AppleMailSignature"><br></div><div id="AppleMailSignature">Erik<br><br>Erik Lindahl <<a href="mailto:erik.lindahl@scilifelab.se">erik.lindahl@scilifelab.se</a>><div>Professor of Biophysics</div><div>Science for Life Laboratory</div><div>Stockholm University & KTH</div><div>Office (SciLifeLab): +46 8 524 81567</div><div>Cell (Sweden): +46 73 4618050</div><div>Cell (US): +1 267 3078746</div><div><br></div></div><div><br>On 12 Apr 2017, at 06:59, Pascal Timothee Merz <<a href="mailto:Pascal.Merz@Colorado.EDU">Pascal.Merz@Colorado.EDU</a>> wrote:<br><br></div><blockquote type="cite"><div>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<style>body{font-family:Helvetica,Arial;font-size:13px}</style>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
Dear all,</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
<br>
</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
The current master does not pass the EwaldUnitTests in double precision, at least on the two configurations I checked (macOS / Clang 3.5, Ubuntu / gcc 5.4). In single precision, and on 2016.3 in both single and double precision, it passes without problems. </div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
<br>
</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
I didn’t investigate further yet, but was wondering if anybody was aware of the issue, and maybe already working on it?</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
<br>
</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
Best,</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
Pascal</div>
<div id="bloop_customfont" style="font-family:Helvetica,Arial;font-size:13px; color: rgba(0,0,0,1.0); margin: 0px; line-height: auto;">
<br>
</div>
<br>
<div id="bloop_sign_1491969220072536064" class="bloop_sign"><font color="#919191">Pascal Merz</font>
<div>
<div><font color="#919191">Research Associate, Shirts Group</font></div>
<div><font color="#919191">Dept. of Chemical and Biological Engineering</font></div>
<div><font color="#919191">University of Colorado Boulder</font></div>
<div><a href="mailto:pascal.merz@colorado.edu"><font color="#0433ff">pascal.merz@colorado.edu</font></a></div>
<div><br>
</div>
</div>
</div>
</div></blockquote><blockquote type="cite"><div><span>-- </span><br><span>Gromacs Developers mailing list</span><br><span></span><br><span>* Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List">http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List</a> before posting!</span><br><span></span><br><span>* Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists">http://www.gromacs.org/Support/Mailing_Lists</a></span><br><span></span><br><span>* For (un)subscribe requests visit</span><br><span><a href="https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers">https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers</a> or send a mail to <a href="mailto:gmx-developers-request@gromacs.org">gmx-developers-request@gromacs.org</a>.</span></div></blockquote></body></html>