globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
18 stars 5 forks source link

Allow >1 LAMMPS per GPU #112

Closed WardLT closed 7 months ago

WardLT commented 7 months ago

Add MPS to the launch script, compile with MPS, support it in the Polaris configuration

Fixes #94

coveralls commented 7 months ago

Pull Request Test Coverage Report for Build 8615345268

Details


Totals Coverage Status
Change from base Build 8614138949: 0.03%
Covered Lines: 4151
Relevant Lines: 10031

💛 - Coveralls