diff --git a/docs.it4i/lumi/software.md b/docs.it4i/lumi/software.md index 09e7c7b895a0209cb116dc03e0f313a04cc5133f..e5fdff28b8d39820529baed1b81d68f8ddc03912 100644 --- a/docs.it4i/lumi/software.md +++ b/docs.it4i/lumi/software.md @@ -4,10 +4,17 @@ Below are the guides for selected [LUMI Software modules][1]: ## How to Run PyTorch on Lumi-G AMD GPU Accelerators +[PyTorch][8] is an optimized tensor library for deep learning using GPUs and CPUs. + [https://docs.lumi-supercomputer.eu/software/packages/pytorch/][2] ## How to Run Gromacs on Lumi-G AMD GPU Accelerators +Gromacs is a very efficient engine to perform molecular dynamics simulations +and energy minimizations particularly for proteins. +However, it can also be used to model polymers, membranes and e.g. coarse grained systems. +It also comes with plenty of analysis scripts. + [https://docs.csc.fi/apps/gromacs/#example-batch-script-for-lumi-full-gpu-node][3] ## AMD Infinity Hub @@ -19,16 +26,23 @@ including code built recipes for code customization. ## GPU-Accelerated Applications With AMD INSTINCTâ„¢ Accelerators Enabled by AMD ROCmâ„¢ +The AMD Infinity Hub contains a collection of advanced software containers +and deployment guides for HPC and AI applications, +enabling researchers, scientists, and engineers to speed up their time to science. + [https://www.amd.com/system/files/documents/gpu-accelerated-applications-catalog.pdf][5] ## CSC Installed Software -Codes enabled by CSC and available for all, including PyTorch, TensorFlow, JAX, GROMACS, and others. +The link below contains a list of codes enabled by CSC +and available for all, including PyTorch, TensorFlow, JAX, GROMACS, and others. [https://docs.lumi-supercomputer.eu/software/local/csc/][6] ## Installation of SW via Conda +Conda is an open-source, cross-platform,language-agnostic package manager and environment management system. + [https://docs.lumi-supercomputer.eu/software/installing/container-wrapper/][7] [1]: https://lumi-supercomputer.github.io/LUMI-EasyBuild-docs/ @@ -38,3 +52,4 @@ Codes enabled by CSC and available for all, including PyTorch, TensorFlow, JAX, [5]: https://www.amd.com/system/files/documents/gpu-accelerated-applications-catalog.pdf [6]: https://docs.lumi-supercomputer.eu/software/local/csc/ [7]: https://docs.lumi-supercomputer.eu/software/installing/container-wrapper/ +[8]: https://pytorch.org/docs/stable/index.html