Thanks a lot Dr.Marks. I had tried "lapw2 lapw2_X.def", however, I got the following message: <br> 'FERMI' - number of k-points inconsistent when reading kgen<br> 'FERMI' - check IN1 and KGEN files!<br><br> Do I need other options to run "lapw2 lapw2_X.def"?<br> <br> Best regards,<br> <br> Stargmoon<br> <br><b><i>"L. D. Marks" <L-marks@northwestern.edu></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Run by hand the one that fails, e.g. "lapw2 lapw2_X.def" with the right X. <br>This may help find the problem (and may not!).<br><br>On Fri, 14 Apr 2006, stargmoon wrote:<br><br>> Dear WIEN2k community,<br>><br>> We have a distributed memory machine reconfigured recently, the queuing system is SGE. I did a test run with hexagonal TiS2 (3 atoms/ unit cell), if I use small k-mesh, everything is okay. If I change to big k-mesh, the program stops at lapw2 without any error message.
Actually, from the queue, the job looks running, but it in fact stops at lapw2 because no more output from the first processor (all other processors finish without any problem) forever.<br>><br>> This question has been bothering me a week. Please help me! Your reply will be highly appreciated!<br>><br>> Best regards,<br>><br>> Stargmoon<br>><br>><br>><br>> ---------------------------------<br>> Yahoo! Messenger with Voice. Make PC-to-Phone Calls to the US (and 30+ countries) for 2¢/min or less.<br><br>Note: if you have an old email address for me, please note that "nwu" has<br>been changed to "northwestern".<br>-----------------------------------------------<br>Laurence Marks<br>Department of Materials Science and Engineering<br>MSE Rm 2036 Cook Hall<br>2225 N Campus Drive<br>Northwestern University<br>Evanston, IL 60208, USA<br>Tel: (847) 491-3996 Fax: (847) 491-7820<br>email: L-marks at northwestern dot
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