[Pw_forum] something strange with my nscf and projwfc calculations

[vega lew]

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



_________________________________________________________________
Explore the seven wonders of the world
http://search.msn.com/results.aspx?q=7+wonders+world&mkt=en-US&form=QBRE
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080718/9cbf1acd/attachment.htm