[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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