Dear PWSCF Users,
I performed nscd calculation for a large job with kpt grid of 14x14x14. The
output shows the number of kpt to be computed is 1376 kpts. The job completed
up to 1376 kpts, but the last kpt (kpt # 1376) was not computed. I let the
job continue to run for a few day, I still did not see anything written out
from this point Shown below is a part of the output:
???..
Computing kpt #: 1372
c_bands: 80 eigenvalues not converged
total cpu time spent up to now is 323489.7 secs
Computing kpt #: 1373
c_bands: 63 eigenvalues not converged
total cpu time spent up to now is 325035.2 secs
Computing kpt #: 1374
c_bands: 75 eigenvalues not converged
total cpu time spent up to now is 326680.8 secs
Computing kpt #: 1375
c_bands: 55 eigenvalues not converged
total cpu time spent up to now is 328086.3 secs
Computing kpt #: 1376
----nothing else beyond this point.
I repeated the calculations 3 times, the same problem occurred. Is there
any of you experienced this problem before? If you know how to fix this
problem, I appreciate if could help.
Thank you,
Trinh Vo
JPL/CalTech
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