How to build abinit  [SOLVED]

option, parallelism,...

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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
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kinsang
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Joined: Wed Mar 23, 2016 2:24 pm

How to build abinit  [SOLVED]

Post by kinsang » Fri Mar 25, 2016 3:09 pm

Hi, everyone. I am using abinit-7-10-5, wondering how to make better configuration.
Thanks a lot !
Last edited by kinsang on Fri Apr 15, 2016 9:43 am, edited 3 times in total.
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pouillon
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Re: How to choose libraries to achieve the fastest speed.

Post by pouillon » Wed Apr 13, 2016 2:01 pm

Achieving the fastest speed will depend a lot on your architecture and on the kind of calculations you perform. There is no generic recipe that would guarantee better performance. And in some situtations, better performance means also less stability. You have to try different combinations.

On an Intel-based cluster, MKL is usually a good start. MAGMA may help you only in some cases, if your systems are well-suited for GPU.

ELPA is usually a good performance enhancer, and you may want to try MKL's ScaLAPACK implementation as well.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
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