task # 71
from davcio : error # 5011
error while writing from file
".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72"
I guess it may have run out of space, d3q uses a ton of disk space and
there is not easy way to avoid this. If you are running on any of the
French computing centers I can try to have a look directly.
I do not think the change in number of CPUs could cause this problem,
but if you provide the full output I can check. Also, 44 atoms is a lot
for the d3q code, it seems like you're running the second q-point
triplet, which is of kind (0,q,-q), it takes much more time and disk
space than the triplet (0,0,0). Maybe for such a large system you can
get some decent force-constants already from (0,0,0) alone
cheers
Kanka Ghosh
Postdoctoral Researcher
I2M-Bordeaux
University of Bordeaux, CNRS UMR 5295
Site: Ecole Nationale Supérieure des Arts et Métiers
Bordeaux-Talence 33400
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
