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optimize document and error report based on FAQs #967

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merged 4 commits into from
Sep 25, 2022

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HuangJiameng
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Make some recently reported problems clear in code and documentation.

@@ -62,4 +62,4 @@ DP-GEN identifies the stage of the run process by a record file, record.dpgen, w

0,1,2 correspond to make_train, run_train, post_train. DP-GEN will write scripts in make_train, run the task by specific machine in run_train and collect result in post_train. The records for model_devi and fp stage follow similar rules.

If the process of DP-GEN stops for some reasons, DP-GEN will automatically recover the main process by record.dpgen. You may also change it manually for your purpose, such as removing the last iterations and recovering from one checkpoint.
If the process of DP-GEN stops for some reasons, DP-GEN will automatically recover the main process by record.dpgen. You may also change it manually for your purpose, such as removing the last iterations and recovering from one checkpoint. When re-run dpgen, the process will start from the stage that the last line record.
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re-running


## FileNotFoundError: [Errno 2] No such file or directory: '.../01.model_devi/graph.xxx.pb'
If you find this error occurs, please check your initial data. Your model will not be generated if the initial data is incorrect.

## json.decoder.JSONDecodeError
Your `.json` file is incorrect. It may be a mistake in syntax or a missing comma.

## OSError: [Error cannot find valid a data system] Please check your setting for data systems
Check if the path to the dataset in the parameter file is set correctly. Note that `init_data_sys` is a list, while `sys_configs` should be a two-dimensional list. The first dimension corresponds to `sys_idx`, and the second level are some poscars under each group. Refer to the [sample file](github.com/deepmodeling/dpgen/blob/master/examples/run/dp2.x-lammps-vasp/param_CH4_deepmd-kit-2.0.1.json ).
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You have to insert https:// to the link otherwise it won't work.

@@ -6,7 +6,11 @@
- Size of `sel_a` and actual types of atoms in your system.
- Index of `sys_configs` and `sys_idx`.

2. Please verify the directories of `sys_configs`. If there isn't any POSCAR for `01.model_devi` in one iteration, it may happen that you write the false path of `sys_configs`.
2. Please verify the directories of `sys_configs`. If there isn't any POSCAR for `01.model_devi` in one iteration, it may happen that you write the false path of `sys_configs`. Note that `init_data_sys` is a list, while `sys_configs` should be a two-dimensional list. The first dimension corresponds to `sys_idx`, and the second level are some poscars under each group. Refer to the [sample file](github.com/deepmodeling/dpgen/blob/master/examples/run/dp2.x-lammps-vasp/param_CH4_deepmd-kit-2.0.1.json ).
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Same above.

@wanghan-iapcm wanghan-iapcm merged commit 3319a61 into deepmodeling:devel Sep 25, 2022
@HuangJiameng HuangJiameng deleted the optimize_error branch September 26, 2022 08:24
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3 participants