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 <[email protected]> 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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