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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>Could you file a bugzilla report and attach the tpr file?<br>Please also mention at what step you get this error<br>(run mdrun -v to get the step numbers).<br><br>Berk<br></div><br><br><hr id="stopSpelling">> Date: Tue, 4 Nov 2008 13:36:59 +0100<br>> From: akring@fys.ku.dk<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] Gromacs-4.0: 4 CPUs crashes, works on 1 CPU<br>> <br>> Hi all.<br>> <br>> I have just installed GROMACS 4.0. My system consists of one hydroxide <br>> ion and 999 polarizable water molecules. When the system is minimized <br>> (using only one CPU) with a steepest descent minimizer, there are no <br>> problems. But when I try to minimize exactly the same system using 4 or <br>> 8 CPUs, I get the following error:<br>> <br>> Reading file topol.tpr, VERSION 4.0 (double precision)<br>> Making 1D domain decomposition 4 x 1 x 1<br>> Steepest Descents:<br>> Tolerance (Fmax) = 1.00000e+01<br>> Number of steps = 100000<br>> <br>> A list of missing interactions:<br>> exclusions of 14987 missing -1<br>> <br>> -------------------------------------------------------<br>> Program mdrun4_d, VERSION 4.0<br>> Source code file: domdec_top.c, line: 337<br>> <br>> Software inconsistency error:<br>> One or more interactions were multiple assigned in the domain decompostion<br>> -------------------------------------------------------<br>> <br>> "Microsecond Here I Come" (P.J. Van Maaren)<br>> <br>> Error on node 0, will try to stop all the nodes<br>> Halting parallel program mdrun4_d on CPU 0 out of 4<br>> <br>> gcq#161: "Microsecond Here I Come" (P.J. Van Maaren)<br>> <br>> Any ideas why this could be?<br>> <br>> Regards<br>> Andreas<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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