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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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Not running using mpirun -np $SLURMN_TASKS #4215

Open umang4002 opened 4 days ago

umang4002 commented 4 days ago

Bug summary

Error while

DeePMD-kit Version

DeePMD-kit v2.2.10

Backend and its version

TensorFlow v2.15.0

How did you download the software?

conda

Input Files, Running Commands, Error Log, etc.

Error whille parellelization (CPU)

Steps to Reproduce

Shown below

Further Information, Files, and Links

error is Image I am using the following bash script Image

njzjz commented 2 days ago

It seems that you should use mpirun -np $SLURM_NNODES if you want to run one processor on each node. By the way, it's unclear to me why you set the number of threads larger than the number of cores...