Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
U
ueabs
Manage
Activity
Members
Plan
Wiki
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Snippets
Deploy
Releases
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
UEABS
ueabs
Commits
6b04c361
Commit
6b04c361
authored
3 years ago
by
Kurt Lust
Browse files
Options
Downloads
Patches
Plain Diff
Added GPAW information to the README.md file
parent
2bd0cd80
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
README.md
+19
-3
19 additions, 3 deletions
README.md
with
19 additions
and
3 deletions
README.md
+
19
−
3
View file @
6b04c361
...
...
@@ -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>
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment