<meta http-equiv="Content-Type" content="text/html; charset=utf-8"><div dir="ltr">Dear Prof Peter and Gavin<br><div><div class="gmail_quote"><div dir="ltr"><div><br></div><div>I am getting strange error that I never seen. I had computed band structure without any error previously with same configuration.<br><br>I am not sure this is Wien2k issue of any other. So I am posting this mail with a hope for help.<br></div><div>I installed latest Wien2k without any error with mkl+ifort(2013). During installation I kept RP as <br><pre>RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 $(R_LIBS).<br></pre><pre>LAPW2 was crashed with following error: The error messages are<br></pre></div><br><div>#[bhamu/gga]$ cat job.*<br>Got 32 slots.<br> LAPW0 END<br>bash: 0: command not found<br></div>bash: 0: command not found<br><div>bash: 0: command not found<br>******* <b>similar more lines</b>*********<br>bash: 0: command not found<br>bash: 0: command not found<br>bash: 0: command not found<br>gga.scf1_1: No such file or directory.<br>grep: *scf1*: No such file or directory<br>FERMI - Error<br>cp: cannot stat `.in.tmp': No such file or directory                  <b> >> above contents are from job.err file</b><br>Got 32 slots.<br>#bhamu/gga<br>  <br>32 nodes for this job: compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22<br>32 nodes for this job: compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22<br><br>>   stop error                      <b> >>>>>> These above are the contents from job.out file<br><br>contents of the day file: <br><br></b></div><div>   Summary of lapw1para:<br>   compute-11-17     k=32     user=0.008     wallclock=483.33<br>   compute-11-22     k=22     user=0.007     wallclock=500<br>2.239u 8.033s 0:16.78 61.1%    0+0k 24+8176io 0pf+0w<br>>   lapw2 -p         (18:16:17) running LAPW2 in parallel mode<br>**  LAPW2 crashed!<br>0.128u 0.405s 0:01.11 46.8%    0+0k 0+528io 134pf+0w<br>error: command   /bhamu/Wien2k/lapw2para lapw2.def   failed<br><br>>   stop error<br>[bhamu/gga]$<br><br></div><div>Sincerely<span class=""><font color="#888888"><br clear="all"></font></span></div><span class=""><font color="#888888"><div><span style="color:rgb(0,0,0)">Bhamu<br></span></div></font></span></div>
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