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Scalability of abinit-7.10.5?  [SOLVED]

Posted: Thu Mar 31, 2016 2:55 pm
by kinsang
Hi, everyone.
I am an undergraduate, majoring in software engineering and interested in parallel computing.
I want to test the scalability of this software thus need some large workloads as well as the test cases.
Do anyone have large workloads or test cases for the scalability?
I will upload my test report after testing in return.
Thanks a lot!

Re: Scalability of abinit-7.10.5?

Posted: Tue Apr 05, 2016 11:13 am
by Jordan

We already do some scalability test, you can read ... 5607002091 and ... 5514003531
We usually benchmarck abinit on system with around 600 to 1000 bands like a Au 107 atoms case (supercell with a defect) or Ti 256 atoms
Depending on the system, the scalability might change.
Depending on the libraries you use, the scaling migh vary.

Note that the parallelization in abinit is not easy to learn if you want good performance therefore you should first train with smaller systems.