[Pw_forum] reading pot file

Sergey Lisenkov proffess at yandex.ru
Thu Sep 28 01:58:37 CEST 2006


 Dear all,

  I am a little bit confused how to force the code read potential file in beginning of calculation. I use the next option in my input file:

 startingpot='file'

But in output file I see :

 ....

  writing wfc files to a dedicated directory
     Cannot read rho : file not found
 
     Initial potential from superposition of free atoms
 
     starting charge   96.99814, renormalised to   98.00000
     Starting wfc are atomic
 
     total cpu time spent up to now is     10.64 secs
 
     Self-consistent Calculation
 
     iteration #  1     ecut=    35.00 ryd     beta=0.10
     Davidson diagonalization with overlap
     ethr =  1.00E-05,  avg # of iterations =  8.3
 
     total cpu time spent up to now is     35.77 secs
 
     total energy              =  -977.61653338 ryd
     estimated scf accuracy    <    12.50806875 ryd

Is it possible that this behaviour is caused by using local disks on each node and I copied *.save dir only on the first node? I am using 3.1.1 version.

  Thanks,
    Sergey



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