[CP2K:5306] Linear scaling examples in tests directory

hut... at chem.uzh.ch hut... at chem.uzh.ch
Fri May 23 07:53:42 UTC 2014


have a look in "tests/QS/regtest-dm-ls-scf" and in


Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C              FAX   : ++41 44 635 6838
Universität Zürich                  E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Piero Canepa 
Sent by: cp... at googlegroups.com
Date: 05/22/2014 05:59PM
Subject: [CP2K:5306] Linear scaling examples in tests directory

Dear CP2K community, 

I would like to run some linear scaling examples with CP2k. 
When I look at cp2k-2.4.0/tests/QS I see regtest-linearscaling. 
However in none of the examples in this folder I see the entry LS_SCF. 
I am looking in the right place?  Could you give me more info and recommendations. 

We would like to try the LS feature on BlugeneQ at Argonne National Lab 

Best Regards, 

Room 13-5001 Department of Materials Science and Engineering
Massachusetts Institute of Technology 
77 Massachusetts Avenue
Cambridge, MA 02139 

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