Dear sir,
OK, thank your for your reply. And sorry for my precipitancy.
Last mail, Paolo Giannozzi just tell me a link have something to do with the
warning message.
But There was nothing about the cholesky decomposition problem late reply of
him. So I'm worry
about my expression on that matter. I think he didn't note the problem. and I
remind him there
was cholesky decomposition problem. I didn't mean to hasten anyone. I'm sorry
for the misunderstanding.
Now I searched the acheive. and try to disable the parallel of diagonalization
using the commad
mpirun -hostfile ~/hostfile -np 20 pw.x -npools 2 -ndiag 1 < input >output.
And there was another error like this,
Band Structure Calculation
Davidson diagonalization with overlap
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from cdiaghg : error # 1933
info =/= 0
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Vega Lew
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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