The ABINIT Users Mailing List ( CLOSED )

["Chun Li " <chun.li@mf.mpg.de>]

Dear all,

Thanks for your kind help. I have resolved the problem by updating lam
and re-compiling abinip using mpif90.

Here, I encountered a new problem when I try to test the abinip code I
made from the source. I used the input file run successfully in the
sequential version of abinit, and try to run it on 2 CPUs using the
parallel version of abinit. However, after some time, the program exited
with several similar warning messages in the log file:

vtorho : WARNING -
  For k-point number   11,
  The minimal occupation factor is  0.321.
  An adequate monitoring of convergence requires it to be at most
0.01d0.
  Action : increase slightly the number of bands.

But when I increased the number of bands, the same thing exist. I wonder
where the problem really lies. Could you give me some advice? Thanks a
lot.

And I also tried other input files that ran successfully by abinis, the
procedure stopped and exited without any warning, comment, and error
message. And the proper results have not been obtained obviously. Are
the problems relative with the code or the machine? I performed the
calculations on linux system (release 2.4.19-64GB-SMP, machine i686). I
tested them using abinip made from 4.3.3 and 4.4.1 versions of ABINIT
source files. 
Thanks for your attention.

Best regards.

Chun Li