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Re: [abinit-forum] can parallel version be used to calculate P-DOS?


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  • From: verstraete@pcpm.ucl.ac.be
  • To: forum-abinit <forum@abinit.org>
  • Subject: Re: [abinit-forum] can parallel version be used to calculate P-DOS?
  • Date: Thu, 19 May 2005 16:18:36 +0200 (CEST)


As specified in the output if you try to run prtdos 3 in parallel, no, it doesn't work. This has also been mentioned in old posts to the forum. If anyone wants to implement it, it shouldn't be too complicated and would be very useful, of course. The code should be extended to the cases mkmem=0 and parallel calculations.

Matthieu



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Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be PCPM, Boltzmann, pl. Croix du Sud, 1 tel: +32 10 47 33 59
B-1348 Louvain-la-Neuve Belgium fax: +32 10 47 34 52



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