Dear WIEN2k users, I have this problem when I run w2web. I calculate the band of ferromagnetic material CaCu3Fe4O12 with the space group #204(Im-3).
I show the error message as follows. error: command /home/mizumaki/wien2k/lapw2 uplapw2.def failed > stop error Please can someone help me to overcome this problem ? Best regards, On 2011/01/18, at 18:57, Peter Blaha wrote: > The error message is misleading. It stems from the time where we detected > from the > case.inst file the value for "case" in parallel-calculations . > > Nowadays this is done by: > > setenv PWD $cwd > set case = $PWD > set case = $case:t > if ($case == "") then > echo "ERROR: no case.inst-file -> exit" > > This means from the name of the "current working directory". > > The error could be caused by a missing "directory" (filesystem) on the remote > computer. > Either the filesystem where your calculation resides is not mounted on one of > the > remote computers, or the NFS system is overloaded and temporarely cannot give > byk the information,.... > > Try to use a SCRATCH variable pointing to a local directory to reduce NFS > traffic. > > > Am 18.01.2011 08:53, schrieb Aboudi Hamouda: >> Dear Wien2k users, >> I have this problem when I run parallel calculations. This arrive only with >> some systems and not all the systems. .. >> -> starting parallel LAPW1 jobs at Mon Jan 17 23:27:58 AST 2011 >> running LAPW1 in parallel mode (using .machines.help) >> 4 number_of_parallel_jobs >> cn030(2) 283.001u 0.695s 4:44.13 99.85% 0+0k 0+0io 0pf+0w >> cn030(2) 286.373u 1.008s 4:47.76 99.87% 0+0k 0+0io 0pf+0w >> cn030(2) 296.787u 0.532s 4:57.78 99.85% 0+0k 0+0io 0pf+0w >> cn030(2) 281.630u 1.117s 4:43.13 99.86% 0+0k 0+0io 0pf+0w >> cn030(1) 128.725u 0.353s 2:09.25 99.86% 0+0k 0+0io 0pf+0w >> cn030(1) 125.805u 0.524s 2:06.68 99.72% 0+0k 0+0io 0pf+0w >> Summary of lapw1para: >> cn030 k=10 user=1402.32 wallclock=1408.73 >> 0.259u 0.479s 6:57.75 0.1% 0+0k 0+0io 0pf+0w >>> lapw2 -up -p (23:34:55) running LAPW2 in parallel mode >> ERROR: no case.inst-file -> exit >> 0.009u 0.023s 0:00.06 33.3% 0+0k 0+0io 0pf+0w >> error: command /home/aboudi/wien2k/lapw2para -up uplapw2.def failed >> >>> stop error >> >> 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 ? >> Best regards, >> >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- > > P.Blaha > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 > Email: blaha at theochem.tuwien.ac.at WWW: > http://info.tuwien.ac.at/theochem/ > -------------------------------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ------------------------------------------------------------ ?679-5198????????????1-1-1 ???????????????? ?????????????????? ????? Tel: 0791-58-0802-3870 Fax: 0791-58-0830 E-mail: mizumaki at spring8.or.jp -------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110603/164eea64/attachment.htm>