Re: [SIESTA-L] Help Compiling Siesta 4.1 b4

2018-11-10 Por tôpico Nick Papior
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 : > 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-L] Help Compiling Siesta 4.1 b4

2018-11-09 Por tôpico Brandon Miller
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