SOMA: HPC Monte-Carlo Simulations for Polymers

SOMA is an implementation of the SCMF algorithm for soft, polymeric materials. It is fully implemented in C with OpenACC pragmas for multi-GPU acceleration on modern high-performance supercomputers such as the JUWELS Booster, SUMMIT, or ThetaGPU. I am the lead developer for this project and enforce strict software engineering principles, join us with the development. SOMA has been selected by SPEC to be part of their recent HPC benchmark to quantify new machines with real world applications.

1. Gitlab Page of SOMA
2. Multi-architecture Monte-Carlo (MC) simulation of soft coarse-grained polymeric materials: SOft coarse grained Monte-Carlo Acceleration (SOMA)

Refactoring into AMSO

Unfortunately, scientific software is not always developed to the highest standards of modern software engineering. For all projects I am involved with, I am trying to elevate the standards of the code. I am an advocate for open source software and support initiatives for higher quality code in science.

For SOMA in particular check out the the AMOS project, where I refactor SOMA into C++/CUDA/Python and document the engineering journey along the way.

• 08-23-2024» Motivation For Amso
• 09-06-2024» Rebranding Soma To Amso

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