Commit e79ad69a authored by Kurt Lust's avatar Kurt Lust
Browse files

Updated the links for gpaw in the common benchmark page.

parent 71136842
......@@ -109,14 +109,15 @@ The equations of the (time-dependent) density functional theory within the PAW m
The program offers several parallelization levels. The most basic parallelization strategy is domain decomposition over the real-space grid. In magnetic systems it is possible to parallelize over spin, and in systems that have k-points (surfaces or bulk systems) parallelization over k-points is also possible. Furthermore, parallelization over electronic states is possible in DFT and in real-time TD-DFT calculations. GPAW is written in Python and C and parallelized with MPI.
- Web site: https://wiki.fysik.dtu.dk/gpaw/
- Code download: https://gitlab.com/gpaw/gpaw
- Build instructions: [gpaw/README.md#install](gpaw/README.md#install)
- Code download: [gpaw GitLab repository]()https://gitlab.com/gpaw/gpaw) or [gpaw on
PyPi](https://pypi.org/project/gpaw/)
- Build instructions: [gpaw README, section "Mechanics of building the benchmark"](gpaw/README.md#mechanics-of-building-the-benchmark)
- Benchmarks:
- [Case S: Carbon nanotube](gpaw/benchmark/carbon-nanotube)
- [Case M: Copper filament](gpaw/benchmark/copper-filament)
- [Case L: Silicon cluster](gpaw/benchmark/silicon-cluster)
- [Case S: Carbon nanotube](gpaw/benchmark/1_S_carbon-nanotube/input.py)
- [Case M: Copper filament](gpaw/benchmark/2_M_copper-filament/input.py)
- [Case L: Silicon cluster](gpaw/benchmark/3_L_silicon-cluster/input.py)
- Run instructions:
[gpaw/README.md#running-the-benchmarks](gpaw/README.md#running-the-benchmarks)
[gpaw README, section "Mechanics of running the benchmark"](gpaw/README.md#mechanics-of-running-the-benchmark)
# GROMACS <a name="gromacs"></a>
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