abinit 6.8.1 in parallel not work
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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.
abinit 6.8.1 in parallel not work
I have compiled abinit-6.8.1 with openmpi-1.4.3, but the CPU time which I use 8 CPUs is as the same as the time with one processor. In other words, it does not realize parallel computing, although I have installed the openmpi successfully. In the log there is no warnings or errors. I have installed the openmpi several times again, but it still doesnot work . Hope someone can tell me why and how I shoud do . Thinks.
Re: abinit 6.8.1 in parallel not work
It highly depends on the kind of calculation you want to run. By default, if you only have one k-point, your calculation will only use one processor.
Please read the documentation about band parallelism: http://www.abinit.org/documentation/helpfiles/for-v6.8/tutorial/lesson_parallelism.html
Please read the documentation about band parallelism: http://www.abinit.org/documentation/helpfiles/for-v6.8/tutorial/lesson_parallelism.html
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain