<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Hi,<DIV><BR class="khtml-block-placeholder"></DIV><DIV>In short, it means that gromacs got a non-zero return code when using the XTC routines to write to a file (probably your trajectory).</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>This is almost certainly due to an I/O error. Common explanations besides a full disk are:</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>1. Output file exceeds 2Gb on a non-largefile filesystem (e.g. NFSv2)</DIV><DIV>2. Your quota is full</DIV><DIV>3. Disk hardware error</DIV><DIV>4. Network error if you use NFS</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>In theory it might also happen if you try to write coordinates that involve "NaN", but if it happened during a run I think other routines would have caught a severely crashing simulation first.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Cheers,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Erik</DIV><DIV><BR><DIV><DIV>On Dec 5, 2005, at 3:03 PM, Rahul Karyappa wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite">Dear all,<BR> I had started the MD run for 5ps(5000 steps) on my model. But after 490 steps of MD run it gave me following error:<BR> <BR> Fatal error: XTC error<BR> <BR> What is the reason for this? I checked the disk space but it is not full. PLease let me know about this. Thanking you in advance.<BR> <BR> Rahul Karyappa<BR> <TABLE><TBODY><TR><TD bgcolor="#ffffff"><FONT color="#000000">*****************************************************************<BR> This email is virus free by TrendMicro Inter Scan Security Suite.<BR> *****************************************************************<BR> </FONT></TD></TR></TBODY></TABLE><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">_______________________________________________</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">gmx-users mailing list</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Please don't post (un)subscribe requests to the list. Use the<SPAN class="Apple-converted-space"> </SPAN></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">www interface or send it to <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.</DIV> </BLOCKQUOTE></DIV><BR><DIV> <SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><DIV>-----------------------------------------------------------</DIV><DIV>Erik Lindahl <<A href="mailto:lindahl@sbc.su.se">lindahl@sbc.su.se</A>></DIV><DIV>Assistant Professor, Stockholm Bioinformatics Center</DIV><DIV>Stockholm University, SE 106 91 Stockholm</DIV><DIV>Phone: +46 8 5537 8564 Fax: +46 8 5537 8214</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><BR class="khtml-block-placeholder"></DIV><BR class="Apple-interchange-newline"></SPAN> </DIV><BR></DIV></BODY></HTML>