[Pw_forum] Final iteration often crashes after structure optimization

[Ronald Cohen]

Thank you.  I will compare.  Do you think it is a compiler problem then? Thank you,

Ron

Sent from my iPad

> On Aug 20, 2015, at 12:05 PM, nicola varini <nicola.varini at epfl.ch> wrote:
> 
> Hi Ronald, I did your test with espresso-5.1.2 and I was not able to reproduce the bug.
> I did run on 1 nodes, which has 16 cores and ~ 30GB of RAM.
> I did test with 
> srun -n 16 pw.x < xtal.in
> srun -n 16 pw.x -npool 4 < xtal.in
> They both work.
> 
> https://drive.google.com/file/d/0Bw84Psle5YfwNjFYNXR3azhVRVU/view?usp=sharing
> 
> I hope this help.
> 
> Nicola
> -- 
> Nicola Varini, PhD
> 
> Scientific IT and Application Support (SCITAS)
> Theory and simulation of materials (THEOS)
> CE 0 813 (Bâtiment CE)
> Station 1
> CH-1015 Lausanne
> +41 21 69 31332
> http://scitas.epfl.ch
> 
> Nicola Varini 
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