globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
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Lammps polaris #35

Closed williamyxl closed 9 months ago

williamyxl commented 11 months ago

the added files have the commands to compile and run LAMMPS with CUDA MPS support on Polaris

coveralls commented 9 months ago

Pull Request Test Coverage Report for Build 8065793811

Details


Totals Coverage Status
Change from base Build 7907103252: 0.0%
Covered Lines: 3992
Relevant Lines: 9765

💛 - Coveralls