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- From: Michel Cote <Michel.Cote@umontreal.ca>
- To: forum@abinit.org
- Cc: a.cote@ucl.ac.uk
- Subject: Re: [abinit-forum] phonon band calculations
- Date: Thu, 2 Aug 2007 09:14:58 -0400
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Hello Alex, In our cases, we found that we need to increase the MPI_GROUP_MAX to very high values. In fact, it depends on the number of k-points. The work around for now is to increase MP_GROUP_MAX to twice the number of k-points and split the dataset in different runs using the jdtset input parameter. We have figured out how to solve the problem but we still need to program it in abinit. Hopefully it should be done by the end of the month. Michel Le 07-08-02 à 08:44, a.cote@ucl.ac.uk a écrit :
_____________________________________ Michel Cote Departement de physique Universite de Montreal emai: Michel.Cote@umontreal.ca |
- Re: [abinit-forum] phonon band calculations, Michel Cote, 08/02/2007
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