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task # 71
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<div> from davcio : error # 5011</div>
<div> error while writing from file
".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72"</div>
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<p>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.</p>
<p>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<br>
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cheers<br>
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<div data-marker="__SIG_PRE__">Kanka Ghosh<br>
Postdoctoral Researcher<br>
I2M-Bordeaux<br>
University of Bordeaux, CNRS UMR 5295<br>
Site: Ecole Nationale Supérieure des Arts et Métiers<br>
Bordeaux-Talence 33400</div>
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