[Wien] optimization problem

qianlijie84 qianlijie84 at 163.com
Thu May 7 03:14:42 CEST 2009


Dear professor:
    I'm trying to do the volume optimization for TiC. The varies of the volumes are -10%,-5%.0%,5% and 10%. I find that it goes well when do the -10%, but it fail for error in mixer during the first cycle when do the -5%.
   1) the following is the error information:
    lib-4095 : UNRECOVERABLE library error
  A WRITE operation is invalid if the file is positioned after the end-of-file.

  Encountered during a list-directed WRITE to unit 22
  Fortran unit 22 is connected to a sequential formatted text file: "TiC.scf"
  IOT Trap

>   stop error
ERROR status in TiC_vol__-5.0
2) the content of the error document is: error in mixer.
 I do the job several times and it always occur the error. I don't know what's the problem?
 Thank you for any suggestion!
                   ljqian
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090507/ce0df6ab/attachment.html


More information about the Wien mailing list