[gpaw-users] inverse_cholesky error

Nichols A. Romero naromero at alcf.anl.gov
Fri Dec 2 16:38:53 CET 2011


Andrew,

Please run the GPAW regression tests to verify that everything is working.

Also, sometimes it is possible to get this error if the positions are bad. For example,
atoms on top of each other.

Nichols A. Romero, Ph.D.
Argonne Leadership Computing Facility
Argonne National Laboratory
Building 240 Room 2-127
9700 South Cass Avenue
Argonne, IL 60490
(630) 252-3441


----- Original Message -----
From: "Vladislav Ivanistsev" <olunet at gmail.com>
To: "Andrew Medford" <ajmedfor at gmail.com>
Cc: gpaw-users at listserv.fysik.dtu.dk
Sent: Friday, December 2, 2011 7:45:55 AM
Subject: Re: [gpaw-users] inverse_cholesky error


Dear Andrew, 
the errer does not appear any more (for me) with the newest package for Ubuntu 11.10. It uses python 2.7. 
Vladislav 
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