globus-labs / mof-generation-at-scale / 18465951209

Builds Branch Commit Type Ran Committer Via Coverage
18465951209 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
18281008128 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
18135184569 evaluate-md-runtimes Include the NPV as well Pull #217 WardLT github
47.85
18097141540 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
17915440982 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
17766899496 evaluate-md-runtimes Add dry run flag, update config for DFW Pull #217 WardLT github
47.85
17766842255 evaluate-md-runtimes Update analyses to include TPR push WardLT github
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17766843446 evaluate-md-runtimes Merge a9f0dd251 into 701895124 Pull #217 web-flow github
48.12
17733184592 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
17620634667 evaluate-md-runtimes Write all timesteps sampled Pull #217 WardLT github
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17616209362 evaluate-md-runtimes Allow changing model/seed, support MPS Pull #217 WardLT github
47.85
17616221363 evaluate-md-runtimes Merge 7a1945e8d into 701895124 Pull #217 web-flow github
47.85
17550960206 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
17377775324 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84
17208995852 main Switch to using ML-IAP for LAMMPS, at least on Polaris (#215) * Change the build instructions for Polaris * Add cuEQ to environment, use when compiling model * Support MACE ML-IAP in the MACE runner * Document ML-IAP runner * Explain how to c... push web-flow github
47.84