efield extremely slow

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recohen
Posts: 36
Joined: Tue Apr 30, 2013 10:48 pm

efield extremely slow

Post by recohen » Tue Nov 21, 2017 5:12 pm

I am wondering if anyone understands why the efield calculations are so slow, and if anything can be done to speed them up. Only k-point parallelism works, and for a 42 atom cell it takes 1.5-5 hours per single total energy cycle.

recohen
Posts: 36
Joined: Tue Apr 30, 2013 10:48 pm

Re: efield extremely slow

Post by recohen » Wed Nov 22, 2017 5:04 pm

I tried turning on timings with timopt 3 and timopt -3 and all I get for a single total energy iteration:
IO operation completed. cpu_time: 0.0 [s], walltime: 0.1 [s]
outwf with iomode: -1, cpu_time: 14.63[s], walltime: 48.62 [s]
Proc. 0 individual time (sec): cpu= 12153.9 wall= 12414.3
overall_cpu_time: 780616.7

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