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Commit 6b04c361 authored by Kurt Lust's avatar Kurt Lust
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Added GPAW information to the README.md file

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......@@ -102,16 +102,32 @@ The application codes that constitute the UEABS are:
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<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>
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<td>132,000</td>
<td>X</td>
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<td>X</td>
<td>(X)</td>
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<td>X</td>
<td>X</td>
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<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.
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<td>GROMACS</td>
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