How to build abinit [SOLVED]
Posted: 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 !
Thanks a lot !
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.