SPARC-X / SPARC

Simulation Package for Ab-initio Real-space Calculations
GNU General Public License v3.0
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Running SPARC on AMD / ARM Environment #225

Open yasithdev opened 4 hours ago

yasithdev commented 4 hours ago

Hello, I noticed that the code requires that I use MKL to run. Is there a way to run this code on non-intel architectures? (e.g., AMD, ARM)?

YaphetS-jx commented 4 hours ago

Yes, you can run it without MKL. In that case, you still need to have LAPACK installed on your machine, for example OpenBLAS. And in makefile, please change USE_MKL = 0 and USE_DP_SUBEIG = 1. Then you should be able to compile and run SPARC.