Which version of BigDFT for Abinit 6.8.2 ? [solved]

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
nandaloo
Posts: 12
Joined: Thu Sep 15, 2011 4:48 am

Which version of BigDFT for Abinit 6.8.2 ? [solved]

Post by nandaloo » Mon Oct 17, 2011 7:53 am

Hello

Which is the latest version of BigDFT that can be used with Abinit?
With the abinit source code come version 1.2.0.1, however on the BigDFT website there is already version 1.5 available.

I would like to utilise my GPU for calculations in abinit and the latest version of BigDFT allow this, that is why I'm interested....

Thanks a lot!
Philipp
Last edited by nandaloo on Thu Oct 27, 2011 4:02 am, edited 1 time in total.

rangel
Posts: 45
Joined: Tue Aug 18, 2009 9:50 pm

Re: Which version of BigDFT for Abinit 6.8.2 ?

Post by rangel » Tue Oct 18, 2011 8:52 am

Actually, the latests version of BIGDFT in ABINIT is the 1.2.0

The BIGDFT group is working now to update it in ABINIT. It may take a while.

I do not know if this implementation will work with GPUs.
Tonatiuh Rangel

nandaloo
Posts: 12
Joined: Thu Sep 15, 2011 4:48 am

Re: Which version of BigDFT for Abinit 6.8.2 ?

Post by nandaloo » Thu Oct 27, 2011 4:00 am

Thank you very much for your reply, rangel!

Locked