[Wien] K-point parallel with MPI

David Tompsett dat36 at cam.ac.uk
Thu Jun 9 11:55:53 CEST 2011


Dear All,

I have a general question about installing Wien2k 11 without being able to
use remote passwordless ssh.

In the installation that I have my sysadmin chose "yes" to the shared memory
question in siteconfig. I then have attempted running mixed k-parallel/MPI
jobs. What I have found happens is that the mpirun calls for each group of
k-points are issued sequentially rather than in parallel, even though I have
my .machines file set up correctly.

Can anyone advise me as to how I can alter my installation setup so that the
MPI calls for each k-point group will be called at the same time?

Many thanks,
David Tompsett.
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