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docs: clarify batch_size when MPI is used #2585

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Jun 5, 2023
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docs: clarify batch_size when MPI is used #2585

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docs: clarify batch_size when MPI is used
njzjz Jun 3, 2023
cba0c66
Update argcheck.py
njzjz Jun 3, 2023
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3 changes: 2 additions & 1 deletion deepmd/utils/argcheck.py
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Expand Up @@ -1287,7 +1287,8 @@ def training_data_args(): # ! added by Ziyao: new specification style for data
- int: all {link_sys} use the same batch size.\n\n\
- string "auto": automatically determines the batch size so that the batch_size times the number of atoms in the system is no less than 32.\n\n\
- string "auto:N": automatically determines the batch size so that the batch_size times the number of atoms in the system is no less than N.\n\n\
- string "mixed:N": the batch data will be sampled from all systems and merged into a mixed system with the batch size N. Only support the se_atten descriptor.'
- string "mixed:N": the batch data will be sampled from all systems and merged into a mixed system with the batch size N. Only support the se_atten descriptor.\n\n\
If MPI is used, the value should be considered as the batch size per task.'
doc_auto_prob_style = 'Determine the probability of systems automatically. The method is assigned by this key and can be\n\n\
- "prob_uniform" : the probability all the systems are equal, namely 1.0/self.get_nsystems()\n\n\
- "prob_sys_size" : the probability of a system is proportional to the number of batches in the system\n\n\
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