Dear Brandon, Please search the manual in Sec. 2.4 on how to link the PEXSI library with Siesta.
Den fre. 9. nov. 2018 kl. 22.03 skrev Brandon Miller <[email protected] >: > Hello, > > My name is Brandon and I am working with Dr. Salvador Barraza-Lopez, and > we are wanting to compile the new beta release of SIESTA, version 4.1 b4, > with the PEXSI library, on the Theta supercomputer at the Argonne National > Lab. I am a new graduate student, so I am not sure how to go about this. > Would anyone know how to compile this version of SIESTA with the PEXSI > library, on Theta specifically if possible? > > > Thank you very much, > > > Brandon Miller > -- Kind regards Nick
