ELSI is a unified software interface designed for electronic structure codes to connect with various high-performance eigensolvers and density matrix solvers. For more information, visit the ELSI interchange website.
The standard installation of ELSI requires:
- CMake (3.0 or newer)
- Fortran compiler (Fortran 2003)
- C compiler (C99)
- C++ compiler (C++11, optional)
- MPI (MPI-3)
- BLAS, LAPACK, ScaLAPACK
- CUDA (optional)
Installation with recent versions of Cray, GNU, IBM, Intel, and NVIDIA (formerly
PGI) compilers has been tested. For a complete description of the installation
process, please refer to ./INSTALL.md.
A User's Guide is available at ./doc/elsi_manual.pdf.
For comments, feedback, and suggestions, please
contact the ELSI team.
Copyright (c) 2015-2022, the ELSI team. All rights reserved.