The ABINIT Users Mailing List ( CLOSED )

[Damien Caliste <damien.caliste@cea.fr>]

Hello,

Le 04/01/2008, "Durgun Engin" <Engin.Durgun@ulg.ac.be> a écrit :
> (ixc=11 instead of ixc=1). I am running this job in a cluster
> (infiniti band opteron cluster and using mpich-1.2.6 eth-intel9.1
> compiler ) and using version 5.5.2.
On the output you send, it report to be running with 1 CPU. Do you use
abinis or abinip with only one CPU?

> myself, unfortunately, I do not know compilation details. I used HGH
> potentials for both LDA and PBE. I am facing convergence problems but
> at least it is working for PBE.
Yes, I've seen that for your test, even with the steepest descent.
We'll investigate.

Damien.