From 23c46742fed998119078c54c67dac4b38db850cb Mon Sep 17 00:00:00 2001 From: Kazuya Ishimura Date: Mon, 26 Jul 2021 23:19:12 +0900 Subject: [PATCH] Modify README and INSTALL --- INSTALL | 6 ++++-- README | 25 ++++++++++++------------- 2 files changed, 16 insertions(+), 15 deletions(-) diff --git a/INSTALL b/INSTALL index de4df5c..9353c17 100644 --- a/INSTALL +++ b/INSTALL @@ -1,5 +1,7 @@ - SMASH INSTALLATION OVERVIEW - --------------------------- + ======================== + HOW TO INSTALL SMASH + ======================== + To install SMASH, a fortran compiler, BLAS, LAPACK, and MPI (optional) libraries are required. If your machine is not a x86-64/Linux system or does not include diff --git a/README b/README index f17d94b..3531a35 100644 --- a/README +++ b/README @@ -5,22 +5,21 @@ About SMASH ----------- Scalable Molecular Analysis Solver for High-performance computing systems - (SMASH) is massively parallel open-source software for quantum chemistry - It is released under the Apache 2.0 open source license, and is currently - capable of energy, analytical gradient, and geometry optimization - calculations of Hartree-Fock theory, Density Functional Theory (DFT), and - Second-order Moller-Plesset (MP2) perturbation theory. DFT calculations - can be performed on 100,000 CPU cores with high parallel efficiency. - The Fortran 90/95 language is used with MPI and OpenMP for inter-node and - intra-node parallelization, respectively. Supported platforms are - x86-64/Linux with Intel, NVIDIA HPC SDK (ex-PGI), or GNU compilers, and - Supercomputer Fugaku and FX1000/700 with Fujitsu compiler. + (SMASH) is massively parallel open-source software for quantum chemistry. + It is currently capable of energy, analytical gradient, and geometry + optimization calculations of Hartree-Fock theory, Density Functional + Theory (DFT), and Second-order Moller-Plesset (MP2) perturbation theory. + DFT calculations can be performed on 100,000 CPU cores with high parallel + efficiency. The Fortran 90/95 language is used with MPI and OpenMP for + inter-node and intra-node parallelization, respectively. Supported + platforms are x86-64/Linux with Intel, NVIDIA HPC SDK (ex-PGI), or GNU + compilers, and Supercomputer Fugaku and FX1000/700 with Fujitsu compiler. Documentation ------------- - User and programmer manuals are included in the doc/ directory. - The user manual written in Japanese is also available. - You can also download the document from the following site: + User and programmer manuals are included in the doc directory. + The user manual written in Japanese can be downloaded from the + following site: https://sourceforge.net/projects/smash-qc/files/ Installation