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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>This sounds like the pgi compiler bug which has been reported before,<br>although maybe not on one of the gmx lists.<br>I assume you are compiling with a somewhat older version of pgi.<br>Update to the newest version of pgi or use gcc.<br><br>Berk<br></div><br><br><hr id="stopSpelling">> From: mihoopes@ucdavis.edu<br>> To: gmx-users@gromacs.org<br>> Date: Wed, 22 Oct 2008 16:52:59 -0700<br>> Subject: [gmx-users] Smallest allowed cell size<br>> <br>> Hi,<br>> <br>> I received the following error<br>> <br>> -------------------------------------------------------<br>> Program mdrun, VERSION 4.0<br>> Source code file: domdec.c, line: 2933<br>> <br>> Fatal error:<br>> Step 10: The X-size (-32.295326) times the triclinic skew factor (1.000000)<br>> is smaller than the smallest allowed cell size (1.200000) for domain<br>> decomposition grid cell 0 0 0<br>> -------------------------------------------------------<br>> <br>> under the following conditions<br>> <br>> GROMACS 4.0 installed on a Cray XT4 at nics.utk.edu<br>> <br>> #PBS -l walltime=12:00:00,size=16<br>> aprun -n 16 mdrun -maxh 29.5<br>> <br>> The system has 84272 atoms in a box that is approx. 10x10x10. It works with<br>> 8 processors but I would think that this is fine divided up between 16<br>> processors.<br>> <br>> Any suggestions for understanding this error message would be appreciated.<br>> <br>> Thanks,<br>> Matt<br>> <br>> ---------------------------------------------<br>> Matthew Hoopes<br>> Biophysics Graduate Group<br>> University of California, Davis<br>> <br>> mihoopes@ucdavis.edu<br>> 530-752-6452<br>> --------------------------------------------- <br>> <br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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