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["Chun Li" <lichun@nuaa.edu.cn>]

Hi, Thanks a lot for your reply.

I am sorry for my too late response.
The command I used is like below:
mpirun -np 2 -machinefile nodefile ~/ABINIT465/abinip < *.files > log

One of my input files is copied below:

berryopt     -1      
 rfdir        1 1 1

   kptopt    1        
    ngkpt    1 1 4

ntypat  2           
znucl     30.00000    8.00000                 
natom 12
typat 1 1 1 1 1 1 2 2 2 2 2 2 

#Common data
   shiftk    0.0 0.0 0.5
  nshiftk    1
     acell   15.0 15.0 5.225 Angstrom
    diemac    12.0
    diemix    0.1
      ecut    50
      iscf    3
     nstep    500
    occopt    1
    angdeg    90 90 90
      xangst
     -1.557810    -.000002    2.545809
      -.769506   -1.358626    -.076016
       .769505   -1.358627    2.536487
      -.769508    1.358621    -.075996
       .769510    1.358618    2.536504
      1.557811    -.000004    -.066686
     -1.866317     .000036     .704849
      -.951753   -1.641735    3.315942
       .951756   -1.641740     .703439
      -.951766    1.641761    3.315904
       .951769    1.641758     .703406
      1.866321     .000031    3.317354
    toldfe    1.0d-12

I tried t11.in in the Tutorial, and the calculation can complete smoothly in 
parallel.

So, I really don't know what happened. Could you give me some ideas? Thanks 
again!

Chun Li

----- Original Message ----- 
From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: <forum@abinit.org>
Sent: Friday, November 11, 2005 8:10 PM
Subject: Re: [abinit-forum] successful compilation, but failing calculation?


> Hi,
> 
> 1) How do you launch abinip? (command, nb of proc...)
> 2)Which input file are you using?
> 3)Have you try to launch something like a tutorial calculation in parallel
> 
> 
> --
> Pierre-Matthieu Anglade
> 
> 
>