National Energy Research Scientific Computing Center
Perlmutter
NERSC's flagship system, with GPU and CPU partitions. Garden's MLIP work uses the GPU partition exclusively.
Specifications
| Architecture | x86_64 |
| GPU types | NVIDIA A100 40GB / 80GB (4 per node) |
| Scheduler | Slurm |
| Operating institution | Lawrence Berkeley National Laboratory |
| Allocation model | ERCAP allocations open to DOE-affiliated science |
| Documentation | https://docs.nersc.gov/systems/perlmutter/ |
Available checkpoints
Live from Rootstock · 59 checkpoints across 18 environments
env allscaip
built 2026-05-29
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| allscaip-md-conserving-all-omol | AllScAIP | 2026-05-29 | ● verified |
env ani
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| ani-1ccx | ANI | 2026-05-13 | ● verified |
| ani-1x | ANI | 2026-05-13 | ● verified |
| ani-2x | ANI | 2026-05-13 | ● verified |
env dimenet
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| dimenet-plus-plus-s2ef-oc20-200k | DimeNet++ | — | ○ not recent |
| dimenet-plus-plus-s2ef-oc20-20m | DimeNet++ | — | ○ not recent |
| dimenet-plus-plus-s2ef-oc20-2m | DimeNet++ | — | ○ not recent |
| dimenet-plus-plus-s2ef-oc20-all | DimeNet++ | — | ○ not recent |
env equiformer
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| equiformer-v2-153m-s2ef-oc20-all-md | EquiformerV2 | 2026-05-13 | ● verified |
| equiformer-v2-31m-s2ef-oc20-all-md | EquiformerV2 | 2026-05-13 | ● verified |
| equiformer-v2-83m-s2ef-oc20-2m | EquiformerV2 | 2026-05-13 | ● verified |
env escn
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| escn-l4-m2-lay12-s2ef-oc20-2m | eSCN | 2026-05-13 | ● verified |
| escn-l6-m2-lay12-s2ef-oc20-2m | eSCN | 2026-05-13 | ● verified |
| escn-l6-m2-lay12-s2ef-oc20-all-md | eSCN | 2026-05-13 | ● verified |
| escn-l6-m3-lay20-s2ef-oc20-all-md | eSCN | 2026-05-13 | ● verified |
env esen
built 2026-05-05
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| esen-md-direct-all-omol | eSEN | 2026-05-13 | ● verified |
| esen-sm-conserving-all-omol | eSEN | 2026-05-13 | ● verified |
| esen-sm-direct-all-omol | eSEN | 2026-05-13 | ● verified |
env gemnet
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| gemnet-dt-s2ef-oc20-all | GemNet | — | ○ not recent |
| gemnet-oc-large-s2ef-oc20-all-md | GemNet | — | ○ not recent |
| gemnet-oc-s2ef-oc20-all | GemNet | — | ○ not recent |
| gemnet-oc-s2ef-oc20-all-md | GemNet | — | ○ not recent |
env mace
built 2026-05-05
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| mace-mp-0-large | MACE-MP-0 | 2026-05-13 | ● verified |
| mace-mp-0-medium | MACE-MP-0 | 2026-05-13 | ● verified |
| mace-mp-0-small | MACE-MP-0 | 2026-05-13 | ● verified |
| mace-off23-large | MACE-OFF23 | 2026-05-13 | ● verified |
| mace-off23-medium | MACE-OFF23 | 2026-05-13 | ● verified |
| mace-off23-small | MACE-OFF23 | 2026-05-13 | ● verified |
env mace_polar
built 2026-05-29
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| mace-polar-1-l | MACE-POLAR-1 | 2026-05-29 | ● verified |
| mace-polar-1-m | MACE-POLAR-1 | 2026-05-29 | ● verified |
| mace-polar-1-s | MACE-POLAR-1 | 2026-05-29 | ● verified |
env mattersim
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| mattersim-v1-0-0-1m | MatterSim | — | ○ errored |
| mattersim-v1-0-0-5m | MatterSim | — | ○ errored |
- mattersim-v1-0-0-1m: download: ModuleNotFoundError: No module named 'mattersim.forcefield'; 'mattersim' is not a package
- mattersim-v1-0-0-5m: download: ModuleNotFoundError: No module named 'mattersim.forcefield'; 'mattersim' is not a package
env orb
built 2026-05-05
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| orb-d3-v2 | Orb-v2 | 2026-05-13 | ● verified |
| orb-mptraj-only-v2 | Orb-v2 | 2026-05-13 | ● verified |
| orb-v2 | Orb-v2 | 2026-05-13 | ● verified |
env orb_v3
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| orb-v3-conservative-20-mpa | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-conservative-20-omat | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-conservative-inf-mpa | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-conservative-inf-omat | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-conservative-omol | — no catalog entry | — | ○ errored |
| orb-v3-direct-20-mpa | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-direct-20-omat | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-direct-inf-mpa | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-direct-inf-omat | Orb-v3 | 2026-05-13 | ● verified |
| orb-v3-direct-omol | — no catalog entry | — | ○ errored |
- orb-v3-conservative-omol: smoke-test: ConnectionResetError: [Errno 104] Connection reset by peer
- orb-v3-direct-omol: smoke-test: ConnectionResetError: [Errno 104] Connection reset by peer
env painn
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| painn-s2ef-oc20-all | PaiNN | — | ○ not recent |
env schnet
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| schnet-s2ef-oc20-200k | SchNet | — | ○ not recent |
| schnet-s2ef-oc20-20m | SchNet | — | ○ not recent |
| schnet-s2ef-oc20-2m | SchNet | — | ○ not recent |
| schnet-s2ef-oc20-all | SchNet | — | ○ not recent |
env scn
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| scn-s2ef-oc20-2m | SCN | 2026-05-13 | ● verified |
| scn-s2ef-oc20-all-md | SCN | 2026-05-13 | ● verified |
| scn-t4-b2-s2ef-oc20-2m | SCN | 2026-05-13 | ● verified |
env tensornet
built 2026-05-05
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| tensornet-matpes-pbe-2025-2 | TensorNet | 2026-05-05 | ○ not recent |
env torchmdnet
built 2026-05-13
| Checkpoint | Page | Verified | Status |
|---|---|---|---|
| torchmdnet-et-oc20 | TorchMD-Net | — | ○ errored |
- torchmdnet-et-oc20: download: ModuleNotFoundError: No module named 'torchmdnet.calculators'; 'torchmdnet' is not a package