<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear WIEN2k users,<br><br>I have this problem when I run w2web.<br>I calculate the band of ferromagnetic material CaCu3Fe4O12 with the space group #204(Im-3).<br><br>I show the error message as follows.<br>error: command /home/mizumaki/wien2k/lapw2 uplapw2.def failed<br><blockquote type="cite">stop error<br></blockquote><br>Please can someone help me to overcome this problem ?<br><br>Best regards,<br><br>On 2011/01/18, at 18:57, Peter Blaha wrote:<br><br><blockquote type="cite">The error message is misleading. It stems from the time where we detected from the<br></blockquote><blockquote type="cite">case.inst file the value for "case" in parallel-calculations .<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Nowadays this is done by:<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">setenv PWD $cwd<br></blockquote><blockquote type="cite">set case = $PWD<br></blockquote><blockquote type="cite">set case = $case:t<br></blockquote><blockquote type="cite">if ($case == "") then<br></blockquote><blockquote type="cite">echo "ERROR: no case.inst-file -> exit"<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">This means from the name of the "current working directory".<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">The error could be caused by a missing "directory" (filesystem) on the remote computer.<br></blockquote><blockquote type="cite">Either the filesystem where your calculation resides is not mounted on one of the<br></blockquote><blockquote type="cite">remote computers, or the NFS system is overloaded and temporarely cannot give byk the information,....<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Try to use a SCRATCH variable pointing to a local directory to reduce NFS traffic.<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Am 18.01.2011 08:53, schrieb Aboudi Hamouda:<br></blockquote><blockquote type="cite"><blockquote type="cite">Dear Wien2k users,<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">I have this problem when I run parallel calculations. This arrive only with some systems and not all the systems. ..<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">-> starting parallel LAPW1 jobs at Mon Jan 17 23:27:58 AST 2011<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">running LAPW1 in parallel mode (using .machines.help)<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">4 number_of_parallel_jobs<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030(2) 283.001u 0.695s 4:44.13 99.85% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030(2) 286.373u 1.008s 4:47.76 99.87% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030(2) 296.787u 0.532s 4:57.78 99.85% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030(2) 281.630u 1.117s 4:43.13 99.86% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030(1) 128.725u 0.353s 2:09.25 99.86% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030(1) 125.805u 0.524s 2:06.68 99.72% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Summary of lapw1para:<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">cn030 k=10 user=1402.32 wallclock=1408.73<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">0.259u 0.479s 6:57.75 0.1% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><blockquote type="cite">lapw2 -up -p (23:34:55) running LAPW2 in parallel mode<br></blockquote></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">ERROR: no case.inst-file -> exit<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">0.009u 0.023s 0:00.06 33.3% 0+0k 0+0io 0pf+0w<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">error: command /home/aboudi/wien2k/lapw2para -up uplapw2.def failed<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><blockquote type="cite">stop error<br></blockquote></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">It seems that wien2k can't find inst file. when I check my directory, I see the inst file. Please can someone help me to overcome this problem ?<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Best regards,<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">_______________________________________________<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Wien mailing list<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">-- <br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> P.Blaha<br></blockquote><blockquote type="cite">--------------------------------------------------------------------------<br></blockquote><blockquote type="cite">Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br></blockquote><blockquote type="cite">Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<br></blockquote><blockquote type="cite">Email: <a href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/">http://info.tuwien.ac.at/theochem/</a><br></blockquote><blockquote type="cite">--------------------------------------------------------------------------<br></blockquote><blockquote type="cite">_______________________________________________<br></blockquote><blockquote type="cite">Wien mailing list<br></blockquote><blockquote type="cite"><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br></blockquote><blockquote type="cite"><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote><div><br></div><div>
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