[Pw_forum] error in davcio during restart calculations

Sergey Lisenkov proffess at yandex.ru
Fri Oct 15 10:07:30 CEST 2004


Dear PWscf authors and users,

I restarted my calculations with increasing k-points. But I immeduatly got the error:
.....
The initial density is read from file       40bn.rho
     Starting wfc from file

     total cpu time spent up to now is      3.23 secs

     Self-consistent Calculation

     iteration #  1     ecut=    35.00 ryd     beta=0.15
     Davidson diagonalization (with overlap)
  IOS =          158

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

If I do not use "restart' option, the code will not stop. Why?

Thanks a lot,
  Sergey



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