can escf run in parallel?

Started by golden, February 28, 2012, 04:52:16 AM

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golden

Dear All,
  Is it possible to run escf calculations (TDDFT) in parallel?

I tried to run it but instead the computer hanged. So I tried running using single processor.

thanks.


antti_karttunen

Yes, from version 6.3 on, escf runs in parallel (only SMP parallelisim, but nowadays you easily get 8 or 12 cores in a box). You have to set the correct environment variables before running, please check the latest revision of the manual.

Antti