[Wannier] Can I submit job parallely?

r95222066 at ntu.edu.tw r95222066 at ntu.edu.tw
Tue Jan 22 04:05:11 CET 2008


All Dear Wannier90 user,
           I counter a problem about when I calculate PWscf for scf  
and nscf calculation,I used parallel calculation.It generated as the  
same number wavefuction as the number of nodes .But when I want to  
calculated about "pw2wannier90.x "step ,the ouput data show
--------------------------------------------------------

   Checking info from wannier.nnkp file

   - Real lattice is ok
   - Reciprocal lattice is ok
   - K-points are ok
   - Number of wannier functions is ok ( 15)
   - All guiding functions are given

   Reading data about k-point neighbours

   All neighbours are found

   Opening pp-files

---------------
   *** Compute  A
   ---------------

  AMN
  iknum =       64
        1
  IOS = **

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

      stopping ...
p0_32697:  p4_error: : 0
-----------------------------------------------------------
  My system has 22 atoms.If I only use one node to calculate all step  
, I think it may be slowly.Can I has other method to deal with this  
problem ?

  Thanks for my sincerely


                              Bing-Hong Chen
                                     Taiwan University ,Taiwan








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