Abinit and BigDFT

option, parallelism,...

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Sunny
Posts: 10
Joined: Thu Jan 31, 2013 4:25 pm

Abinit and BigDFT

Post by Sunny » Thu Jan 30, 2014 5:04 pm

Hello!

I wanted to try the wavelet code, which needs BigDFT. The problem is, that I can't compile BigDFT within abinit and the version from bigdft.org is not compatible. I'm using gcc 4.8.2.

The problem with the fallback is, that while performing make in ~abinit/fallbacks/sources/bigdft-abi-1.0.4, it complains

Code: Select all

configure: error: cannot run /bin/sh config/config.sub

Due to this missing file, I can't build the fallback.

On the other hand, I tried to build the original BigDFT from bigdft.org after building libxc. The problem here is the same as mentioned in a prior thread: The parameters of init_restart_objects have changed on 2012-08-31 with commit 1010 and changed on 2013-02-13 (commit 1048) to its current version.

Is there any plan, to fix at least one of these problems?

Thanks for your efforts.

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
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Re: Abinit and BigDFT

Post by pouillon » Tue Feb 04, 2014 5:32 pm

The best would probably be to ask directly to the developers of BigDFT (see the AUTHORS file in the bigdft-abi-1.0.4 tarball), since such fixes depend essentially on them.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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