From 6b04c361cfaba21aec468c66c81de5e62628f2ed Mon Sep 17 00:00:00 2001
From: Kurt Lust <Kurt.Lust@uantwerpen.be>
Date: Thu, 9 Dec 2021 10:12:06 +0100
Subject: [PATCH] Added GPAW information to the README.md file
---
README.md | 22 +++++++++++++++++++---
1 file changed, 19 insertions(+), 3 deletions(-)
diff --git a/README.md b/README.md
index 5695f44..7ab4af5 100644
--- a/README.md
+++ b/README.md
@@ -102,16 +102,32 @@ The application codes that constitute the UEABS are:
<td></td>
</tr>
<tr>
- <td>GPAW</td>
+ <td>GPAW
+ <ul>
+ <li><a href="https://wiki.fysik.dtu.dk/gpaw/">website</a></li>
+ <li><a href="https://gitlab.com/gpaw/gpaw">GPAW GitLab</a></li>
+ <li><a href="https://gitlab.com/mlouhivu/gpaw/tree/cuda">GPAW GPU development (cuda branch)</a></li>
+ </ul>
+ </td>
<td>132,000</td>
<td>X</td>
<td></td>
- <td>X</td>
+ <td>(X)</td>
<td></td>
<td>X</td>
<td>X</td>
<td></td>
- <td></td>
+ <td>
+ GPAW is a density-functional theory (DFT)
+ program for ab initio electronic structure calculations using the projector
+ augmented wave method. It uses a uniform real-space grid representation of the
+ electronic wavefunctions that allows for excellent computational scalability
+ and systematic converge properties.
+ The GPAW benchmark tests MPI parallelization and the quality of the provided mathematical
+ libraries, including BLAS, LAPACK, ScaLAPACK, and FFTW-compatible library. There is
+ also an experimental CUDA-based implementation for GPU systems, but it is not covered
+ by this UEABS release.
+ </td>
</tr>
<tr>
<td>GROMACS</td>
--
GitLab