[Wien] Volume optimization and Error in Lapw2

qianlijie84 qianlijie84 at 163.com
Tue May 5 08:30:22 CEST 2009


Dear all:
   I want to do volume optimization for multilayers of 34 atoms .During the initialization it creates 72 k points ,so i use 8 nods for calculations .But it failed for lapw2 crashed.
  1)The following is the error information during running:
  lib-4194 : UNRECOVERABLE library error
    A numeric input field has incomplete data.

  Encountered during a list-directed READ from unit 30
  Fortran unit 30 is connected to a sequential formatted text file:
    "case.energy_3"
  IOT Trap
in.tmp - No such file or directory
Cannot access .in.tmp: No such file or directory
Cannot access .in.tmp1: No such file or directory

>   stop error
 STOP  LAPW1 END
 STOP
 2)The following is the error information in case.dayfile:
  >   lapw2 -c  -p        (11:40:52) running LAPW2 in parallel mode
Abort (core dumped)
**  LAPW2 crashed!
0.7u 0.3s 0:04 26% 0+0k 74+7io 6pf+0w
error: command   /disk1/issp/ljqian/WIEN2k_08/lapw2cpara -c lapw2.def   failed

>   stop error
 I don't know what's the problem and how to deal with. Any suggestions will be appreciated.

 Best wishes!
  yours sincerely
ljqian

 
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