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abinit 6.8.1 in parallel not work

Posted: Tue Aug 16, 2011 5:20 am
by Paul
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

Posted: Thu Aug 25, 2011 7:04 pm
by pouillon
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