[Pw_forum] problems with programme stopping

Mousumi Upadhyay mousumi at jncasr.ac.in
Thu Mar 18 06:09:41 CET 2004


Dear All,

            In PWSCF, am running some structural relaxation jobs.
there, most of the times, the jobs are stopping with an error 
msg,

                                                                                          
     entering subroutine stress ...
                                                                                
          total   stress  (a.u.)                         (kbar)     P= 
-943.01
  -0.00641098   0.00000000   0.00000000       -943.09      0.00      0.00
   0.00000000  -0.00641098   0.00000000          0.00   -943.09      0.00
   0.00000000   0.00000000  -0.00640934          0.00      0.00   -942.85
                                                                                
     searching for next position (pslinmin)...
     Eold  =   -798.02648163
     Etot  =   -798.02650981
     DEold =     -0.00005398
     DEtot =     -0.00322997
     linmin: 3rd order interpolation
                                                                                
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from linmin : error #         2
     unexpected error
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...


                can u please tell, why? what is this?

regards,
mousumi.



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