The ABINIT Users Mailing List ( CLOSED )

[Steven Homolya <Steven.Homolya@spme.monash.edu.au>]

I have a question about placing constraints on the number of k-points to 
facilitate parallel execution on multi-node systems, where ea. node has 2 
or more cpus.

What's the easiest way of making sure nkpt is divisible by 2 or 4, or, in
general, any smallish integer?

The most powerful computer I can access at the moment has 4 cpus per node,
and will only accept jobs that use 1-4 cpus or multiples of 4 cpus. So, to
use abinit in parallel mode, I need nkpt to be divisible by four (or be 
less than four).

If anyone else has encountered this problem I'd appreciate any 
suggestions.

If not, I'm working on a shell-script based solution (i.e., using grep,
sed, cut, etc. on a half scf-cycle run), and I'd like to know whether the
output file format (e.g., text column numbers of specific data, precision
of the data) will stay the same from current to future versions.

Thank you.

-- 
Steven Homolya
School of Physics and Materials Engineering
Monash University, VIC 3800
Australia
Tel: +61 3 9905 3694
Fax: +61 3 9905 3637