[Pw_forum] integrated charge error

[Filippo Spiga]

Dear 庞瑞,

I am aware about a problem in one of the routines related to nspin=2 but I did not have enough time in the past month to look at it. Are you using a proper cluster or are you tryin to run your calculation using some commodity GPU (e.g. GTX or mobile GPU)?

Regards,
F


On May 14, 2014, at 1:08 PM, 庞瑞 <pang.r at sustc.edu.cn> wrote:

> QE-GPU-14.03.0+QE.5.02
> On Wed, 14 May 2014 12:43:51 +0200, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
>> On Wed, 2014-05-14 at 18:02 +0800, 庞瑞 wrote:
>> 
>>> I used a GPU version pw.x
>> 
>> you used "which" GPU version?
>> 
>> P.
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--
Mr. Filippo SPIGA, M.Sc.
http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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