[Pw_forum] post-processing for band structure

yelena yelena at ipb.ac.rs
Wed Mar 13 15:24:28 CET 2013


Hello everyone!
I've been experiencing some problems with post-processing for band 
structure
I tried to run example01 from PP folder and error occurred:
.........
   running the band-structure calculation for Si... done
   running the post-processing for band 
structure...--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 0.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
  done
   running plotband.x to generate sibands.ps...STOP Error reading file 
header
  done

/home/user/Desktop/newQE/PP/examples/example01: done


I got CRASH report with following message:

      task #         0
      from bands : error #         1
      gamma_only case not implemented

Only reason I did this example is because I had similar error when I 
tried to do bands.x for my own example.And got same crash report and of 
course nothing happened.I cannot produce bands.dat. So I tried to do 
example to see if I made some error in input files or something like 
that.
Can someone please give me advice, what am I doing wrong?

Jelena Pesic



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