[Pw_forum] Final iteration often crashes after structure optimization

[nicola varini]

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 <http://xtal.in/>
srun -n 16 pw.x -npool 4 < xtal.in <http://xtal.in/>
They both work.

https://drive.google.com/file/d/0Bw84Psle5YfwNjFYNXR3azhVRVU/view?usp=sharing 
<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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