converged movecs and number of parallel processes


Clicked A Few Times
I use the movecs from a converged scf calculation for input to a dft calculation. The converged scf was carried out with n number of processes. If I use the same number of processes in the dft calculation, the dft calculation works fine. However, if I use 2n processes, then the dft calculation fails. Is that a bug or is that just by design?

Thanks!

Zhiyong

Forum Regular
What is the error that you are getting? There is nothing in the code that prevents the situation you describe, so more information is needed to determine if the failure is software, hardware, or human.

Forum Vet
Zhiyong
Could you post and/or upload to a public website input and output files?


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