deploy: d0f61fa

_downloads/819e10305ddd6839cd7da05935b17060/mass-inference.txt

@@ -1,17 +1,17 @@
-2024-05-15 00:21:01 (INFO): Project root: /home/runner/work/fairchem/fairchem/src/fairchem
+2024-05-15 19:16:17 (INFO): Project root: /home/runner/work/fairchem/fairchem/src/fairchem
 /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/cuda/amp/grad_scaler.py:126: UserWarning: torch.cuda.amp.GradScaler is enabled, but CUDA is not available.  Disabling.
   warnings.warn(
-2024-05-15 00:21:02 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
-2024-05-15 00:21:02 (INFO): amp: true
+2024-05-15 19:16:18 (WARNING): Detected old config, converting to new format. Consider updating to avoid potential incompatibilities.
+2024-05-15 19:16:18 (INFO): amp: true
 cmd:
-  checkpoint_dir: ./checkpoints/2024-05-15-00-21-20
-  commit: 27d812e
+  checkpoint_dir: ./checkpoints/2024-05-15-19-16-16
+  commit: d0f61fa
   identifier: ''
-  logs_dir: ./logs/tensorboard/2024-05-15-00-21-20
+  logs_dir: ./logs/tensorboard/2024-05-15-19-16-16
   print_every: 10
-  results_dir: ./results/2024-05-15-00-21-20
+  results_dir: ./results/2024-05-15-19-16-16
   seed: 0
-  timestamp_id: 2024-05-15-00-21-20
+  timestamp_id: 2024-05-15-19-16-16
 dataset:
   a2g_args:
     r_energy: false
@@ -122,25 +122,25 @@ test_dataset:
 trainer: ocp
 val_dataset: null
 
-2024-05-15 00:21:02 (INFO): Loading dataset: ase_db
-2024-05-15 00:21:02 (INFO): rank: 0: Sampler created...
-2024-05-15 00:21:02 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-15 00:21:02 (INFO): rank: 0: Sampler created...
-2024-05-15 00:21:02 (INFO): Batch balancing is disabled for single GPU training.
-2024-05-15 00:21:02 (INFO): Loading model: gemnet_t
-2024-05-15 00:21:04 (INFO): Loaded GemNetT with 31671825 parameters.
-2024-05-15 00:21:04 (WARNING): Model gradient logging to tensorboard not yet supported.
-2024-05-15 00:21:04 (INFO): Loading checkpoint from: /tmp/ocp_checkpoints/gndt_oc22_all_s2ef.pt
-2024-05-15 00:21:05 (INFO): Overwriting scaling factors with those loaded from checkpoint. If you're generating predictions with a pretrained checkpoint, this is the correct behavior. To disable this, delete `scale_dict` from the checkpoint. 
-2024-05-15 00:21:05 (WARNING): Scale factor comment not found in model
-2024-05-15 00:21:05 (INFO): Predicting on test.
+2024-05-15 19:16:18 (INFO): Loading dataset: ase_db
+2024-05-15 19:16:18 (INFO): rank: 0: Sampler created...
+2024-05-15 19:16:18 (INFO): Batch balancing is disabled for single GPU training.
+2024-05-15 19:16:18 (INFO): rank: 0: Sampler created...
+2024-05-15 19:16:18 (INFO): Batch balancing is disabled for single GPU training.
+2024-05-15 19:16:18 (INFO): Loading model: gemnet_t
+2024-05-15 19:16:20 (INFO): Loaded GemNetT with 31671825 parameters.
+2024-05-15 19:16:20 (WARNING): Model gradient logging to tensorboard not yet supported.
+2024-05-15 19:16:20 (INFO): Loading checkpoint from: /tmp/ocp_checkpoints/gndt_oc22_all_s2ef.pt
+2024-05-15 19:16:20 (INFO): Overwriting scaling factors with those loaded from checkpoint. If you're generating predictions with a pretrained checkpoint, this is the correct behavior. To disable this, delete `scale_dict` from the checkpoint. 
+2024-05-15 19:16:20 (WARNING): Scale factor comment not found in model
+2024-05-15 19:16:20 (INFO): Predicting on test.
 device 0:   0%|                                           | 0/3 [00:00<?, ?it/s]/opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
   storage = elem.storage()._new_shared(numel)
 /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly.  To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage()
   storage = elem.storage()._new_shared(numel)
 /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/torch/amp/autocast_mode.py:250: UserWarning: User provided device_type of 'cuda', but CUDA is not available. Disabling
   warnings.warn(
-device 0:  33%|███████████▋                       | 1/3 [00:03<00:06,  3.41s/it]device 0:  67%|███████████████████████▎           | 2/3 [00:06<00:03,  3.13s/it]device 0: 100%|███████████████████████████████████| 3/3 [00:08<00:00,  2.79s/it]device 0: 100%|███████████████████████████████████| 3/3 [00:08<00:00,  2.92s/it]
-2024-05-15 00:21:13 (INFO): Writing results to ./results/2024-05-15-00-21-20/ocp_predictions.npz
-2024-05-15 00:21:13 (INFO): Total time taken: 8.917603254318237
-Elapsed time = 15.2 seconds
+device 0:  33%|███████████▋                       | 1/3 [00:02<00:04,  2.41s/it]device 0:  67%|███████████████████████▎           | 2/3 [00:05<00:02,  2.77s/it]device 0: 100%|███████████████████████████████████| 3/3 [00:07<00:00,  2.35s/it]device 0: 100%|███████████████████████████████████| 3/3 [00:07<00:00,  2.44s/it]
+2024-05-15 19:16:27 (INFO): Writing results to ./results/2024-05-15-19-16-16/ocp_predictions.npz
+2024-05-15 19:16:27 (INFO): Total time taken: 7.45857834815979
+Elapsed time = 13.8 seconds

_sources/autoapi/core/index.rst

@@ -37,10 +37,3 @@ Submodules
    _cli/index.rst
 
 
-Package Contents
-----------------
-
-.. py:data:: __version__
-
-   
-

_sources/core/install.md

@@ -54,8 +54,23 @@ pip install -e pip install packages/fairchem-{package-to-install}
 
 ## Dev install
 
-If you plan to make contributions you will need to clone the repo and install `fairchem-core` in editable mode with dev
+If you plan to make contributions you will need to clone (for windows user please see next section) the repo and install `fairchem-core` in editable mode with dev
 dependencies,
 ```bash
 pip install -e pip install packages/fairchem-core[dev]
 ```
+
+## Cloning git repository on windows
+
+Our build system requires the use of symlinks which are not available by default on windows. To properly build fairchem packages you must enable symlinks and clone the repository with them enabled.
+
+1) When installing git on your machine make sure "enable symbolic links" is checked  ([download git installer](https://git-scm.com/download/win))
+
+![Enable symlinks on git install](https://i.stack.imgur.com/kZmPI.png)
+
+2) Enable developer mode ([instructions](https://learn.microsoft.com/en-us/windows/apps/get-started/enable-your-device-for-development)) or run the following commands as administrator
+
+3) Run the git clone command with symlinks enabled
+```
+git clone -c core.symlinks=true https://github.com/FAIR-Chem/fairchem.git
+```