The ABINIT Users Mailing List ( CLOSED )

[Jan Gryko <gryko@jsucc.jsu.edu>]

 Hello:

  I try to calculate the angular momentum projected DOS using prtdos=3
  and everything is fine when calculations are done on a single node.
  However, when I use more nodes in the cluster, the results are
  wrong (negative DOS, or the same DOS for s, p, d states).
  I run small Intel-P4 under Red Hat 7.2 and MPICH cluster.  The 
  results for total DOS (prtdos=2) are correct and do not depend on 
  the number of nodes.  It looks like something is not being passed
  from the master node to other nodes when prtdos=3.  Did someone have
  this problem?

  Jan Gryko