[Wien] Two questions

[mkhsabra at aec.org.sy]

 Dear Dr. Andersen;
 
Thank you for your help.
 
Stdout file:

 cp: canot stat '.in.tmp' no such file or directory
 rm: canot remove = = == = = =     ==            ==

Dayfile:
 
 Lapwo -p 
 lapw1 -p
 parllab1(5) segmantation fault
 ..         .. ...
 ..            ....

  lapw2 crashed

 lapw2.error file :

 testerror: Error in parallel lapw2.
  
 It works for cells with 16 or 32 atoms.

  Best wishes

 M. K. Sabra

> >  Dear All wien users;
> > 
> >  1- I wish you all  a very happy new year.
> > 
> >  2- I am trying to build a supercell (2x2x2) of InP. I have got 64 atoms in
> 
> > the *.struct file. But also I have got error:
> >  testerror: parallel lapw2 error. 
> >  How can I solve it. where the Gmax 9 ant no. k points is 27.
> 
> Well, what is at the end of the dayfile? And in the other error files 
> from lapw2?
> 
> It could mean that communication is too slow between the computers, and 
> it could also just be a statistical error... what happens if you run 
> lapw2 again?
> 
> > 
> >  3- The 64 atoms ar generated from 10 inequvelant atoms. Do the
> calculations 
> > consider only the inequvelant atoms or all atoms in the struct file.
> > 
> 
> Do they have different (and negative) numbers? Otherwise sgroup will 
> reduce the struct file again...
> 
> A calculation always consider all atoms in the struct file, once 
> init_lapw has been successfully run.
> 
> 
> >  please help
> > 
> >  best wihes
> > 
> >  M. K. Sabra
> > 
> >   
> > 
> > -------------------------------------------------
> > This mail sent through AECS mail server.
> > 
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> 
> -- 
> Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
> AG Hübner, Department of Physics, Kaiserslautern University
> http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/
> 
> Symposium on Excited-state properties of solids, Mannheim 2005:
> See: http://cmt.physik.uni-kl.de/XSM05/
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 




-------------------------------------------------
This mail sent through AECS mail server.