6.1. Test a model

The frozen model can be used in many ways. The most straightforward test can be performed using dp test. A typical usage of dp test is

dp test -m graph.pb -s /path/to/system -n 30

where -m gives the tested model, -s the path to the tested system and -n the number of tested frames. Several other command line options can be passed to dp test, which can be checked with

$ dp test --help

An explanation will be provided

usage: dp test [-h] [-m MODEL] [-s SYSTEM] [-S SET_PREFIX] [-n NUMB_TEST]
               [-r RAND_SEED] [--shuffle-test] [-d DETAIL_FILE]

optional arguments:
  -h, --help            show this help message and exit
  -m MODEL, --model MODEL
                        Frozen model file to import
  -s SYSTEM, --system SYSTEM
                        The system dir
  -S SET_PREFIX, --set-prefix SET_PREFIX
                        The set prefix
  -n NUMB_TEST, --numb-test NUMB_TEST
                        The number of data for test
  -r RAND_SEED, --rand-seed RAND_SEED
                        The random seed
  --shuffle-test        Shuffle test data
  -d DETAIL_FILE, --detail-file DETAIL_FILE
                        The prefix to files where details of energy, force and virial accuracy/accuracy per atom will be written
  -a, --atomic          Test the accuracy of atomic label, i.e. energy / tensor (dipole, polar)