info

The dptools info command is used to display information on all deepmd models and Slurm parameter settings that have been set.

General usage,

$ dptools info [-h] [-m MODEL_LABEL]

optional arguments:
  -h, --help            show this help message and exit
  -m MODEL_LABEL, --model-label MODEL_LABEL
                        Label of specific model to use (see dptools set -h) (default: all)

Quick reference examples

$ dptools info # display all set environments
$ dptools info -m water # display specific labelled environment

Display all saved model environments

Simply running the command,

$ dptools info

will print all of the saved deepmd models and Slurm parameters for each environment created by the set command.

The output will look something like:

----------------------------------------------------------------
 default env

 DPTOOLS_MODEL=/home/sours/data/dptools_stuff/mofs/02_iter2/01_train/00/graph.pb
 DPTOOLS_MODEL2=/home/sours/data/dptools_stuff/mofs/02_iter2/01_train/01/graph.pb
 DPTOOLS_MODEL3=/home/sours/data/dptools_stuff/mofs/02_iter2/01_train/02/graph.pb
 DPTOOLS_MODEL4=/home/sours/data/dptools_stuff/mofs/02_iter2/01_train/03/graph.pb

 TYPE MAP:
 C   0
 H   1
 O   2
 Zr  3

 SBATCH_COMMENT:
 #SBATCH --time=30:00:00 --nodes=1 --partition=med --ntasks-per-node=16 --output=job.out --error=job.err
 ----------------------------------------------------------------

 ----------------------------------------------------------------
 zeos env

 DPTOOLS_MODEL=/home/sours/data/univ_ml/datasets/00_zeolites/tuning/all/final/32/graph.pb

 TYPE MAP:
 O   0
 Si  1

 SBATCH_COMMENT:
 #SBATCH --time=30:00:00 --nodes=1 --partition=med --ntasks-per-node=16 --output=job.out --error=job.err
 ----------------------------------------------------------------

Note

If you set too many models and you want to clear some of them, use the reset command!