Skip to content

Commit

Permalink
change README
Browse files Browse the repository at this point in the history
  • Loading branch information
cagrikymk committed Jun 25, 2024
1 parent 05bfdd2 commit f136307
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ JAX-MD Integration Paper: [End-to-End Differentiable ReaxFF](https://link.spring

## How to Install
Jax-ReaxFF requires JAX and jaxlib ([Jax Repo](https://github.com/google/jax)). <br>
The code is tested with JAX 0.4.13 - 0.4.23 and jaxlib 0.4.13 - 0.4.23.
The code is tested with JAX 0.4.26 - 0.4.30 and jaxlib 0.4.26 - 0.4.30.
Since the optimizer is highly more performant on GPUs, GPU version of jaxlib needs to be installed (GPU version supports both CPU and GPU execution). <br>

**1-** Before the installation, a supported version of CUDA and CuDNN are needed (for jaxlib). Alternatively, one could install the jax-md version that comes with required CUDA libraries. <br>
Expand Down Expand Up @@ -52,7 +52,7 @@ jaxreaxff --init_FF Datasets/cobalt/ffield_lit \
```
**5-** To have the GPU support, jaxlib with CUDA support needs to be installed, otherwise the code can only run on CPUs.
```
pip install -U "jax[cuda12_pip]==0.4.23" -f https://storage.googleapis.com/jax-releases/jax_cuda_releases.html
pip install -U "jax[cuda12]==0.4.30"
```
You can learn more about JAX installation here: [JAX install guide](https://github.com/google/jax#installation)<br>

Expand Down

0 comments on commit f136307

Please sign in to comment.