Author Topic: Incore option for parallel dscf runs  (Read 3586 times)

f.uhlig

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Incore option for parallel dscf runs
« on: December 17, 2010, 05:38:43 pm »
Dear all,

I was wondering whether there is a plan to make the "$incore <memsize>" option available for parallel execution of the self-consistent field methods?
I have so far seen a significant influence on the performance of especially the dscf-module in sequential execution. A parallel implementation would be very helpful, not only on high-performance clusters, but also on smaller Linux computer clusters that get used very widely....

Best regards,

Frank Uhlig

christof.haettig

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Re: Incore option for parallel dscf runs
« Reply #1 on: January 20, 2011, 02:20:29 pm »
maybe, if there is a volunteer who has the time and the knowhow to do the work...

Christof