Author Topic: can escf run in parallel?  (Read 4165 times)

golden

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can escf run in parallel?
« on: February 28, 2012, 04:52:16 AM »
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

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Re: can escf run in parallel?
« Reply #1 on: February 28, 2012, 07:47:33 AM »
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