tests.pt.test_training.TestEnergyZBLModelSeA.test_dp_train failed

[njzjz]

――――――――――――――――――――――――――――――――――――――――――――――――――――――― TestEnergyZBLModelSeA.test_dp_train ――――――――――――――――――――――――――――――――――――――――――――――――――――――――

self = <tests.pt.test_training.TestEnergyZBLModelSeA testMethod=test_dp_train>

    def test_dp_train(self):
        # test training from scratch
>       trainer = get_trainer(deepcopy(self.config))

pt/test_training.py:32:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
../../deepmd/pt/entrypoints/main.py:189: in get_trainer
    trainer = training.Trainer(
../../deepmd/pt/train/training.py:335: in __init__
    self.model = get_single_model(
../../deepmd/pt/train/training.py:268: in get_single_model
    model = get_zbl_model(deepcopy(_model_params)).to(DEVICE)
../../deepmd/pt/model/model/__init__.py:127: in get_zbl_model
    pt_model = PairTabAtomicModel(
../../deepmd/utils/plugin.py:88: in __call__
    obj.__init__(*args, **kwargs)
../../deepmd/pt/model/atomic_model/pairtab_atomic_model.py:80: in __init__
    self.tab = self._set_pairtab(tab_file, rcut)
../../deepmd/pt/model/atomic_model/pairtab_atomic_model.py:120: in _set_pairtab
    return PairTab(tab_file, rcut)
../../deepmd/utils/pair_tab.py:38: in __init__
    self.reinit(filename, rcut)
../../deepmd/utils/pair_tab.py:56: in reinit
    self.vdata = np.loadtxt(filename)
/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/npyio.py:1373: in loadtxt
    arr = _read(fname, dtype=dtype, comment=comment, delimiter=delimiter,
/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/npyio.py:992: in _read
    fh = np.lib._datasource.open(fname, 'rt', encoding=encoding)
/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/_datasource.py:193: in open
    return ds.open(path, mode, encoding=encoding, newline=newline)
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _

self = <numpy.DataSource object at 0x151576314400>, path = 'source/tests/pt/model/water/data/zbl_tab_potential/H2O_tab_potential.txt', mode = 'rt'
encoding = None, newline = None

    def open(self, path, mode='r', encoding=None, newline=None):
        """
        Open and return file-like object.

        If `path` is an URL, it will be downloaded, stored in the
        `DataSource` directory and opened from there.

        Parameters
        ----------
        path : str
            Local file path or URL to open.
        mode : {'r', 'w', 'a'}, optional
            Mode to open `path`.  Mode 'r' for reading, 'w' for writing,
            'a' to append. Available modes depend on the type of object
            specified by `path`. Default is 'r'.
        encoding : {None, str}, optional
            Open text file with given encoding. The default encoding will be
            what `io.open` uses.
        newline : {None, str}, optional
            Newline to use when reading text file.

        Returns
        -------
        out : file object
            File object.

        """

        # TODO: There is no support for opening a file for writing which
        #       doesn't exist yet (creating a file).  Should there be?

        # TODO: Add a ``subdir`` parameter for specifying the subdirectory
        #       used to store URLs in self._destpath.

        if self._isurl(path) and self._iswritemode(mode):
            raise ValueError("URLs are not writeable")

        # NOTE: _findfile will fail on a new file opened for writing.
        found = self._findfile(path)
        if found:
            _fname, ext = self._splitzipext(found)
            if ext == 'bz2':
                mode.replace("+", "")
            return _file_openers[ext](found, mode=mode,
                                      encoding=encoding, newline=newline)
        else:
>           raise FileNotFoundError(f"{path} not found.")
E           FileNotFoundError: source/tests/pt/model/water/data/zbl_tab_potential/H2O_tab_potential.txt not found.

/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/_datasource.py:533: FileNotFoundError

 source/tests/pt/test_training.py ⨯                                                                                                   85% ████████▋

――――――――――――――――――――――――――――――――――――――――――――――――――――――― TestEnergyZBLModelSeA.test_trainable ―――――――――――――――――――――――――――――――――――――――――――――――――――――――

self = <tests.pt.test_training.TestEnergyZBLModelSeA testMethod=test_trainable>

    def test_trainable(self):
        fix_params = deepcopy(self.config)
        fix_params["model"]["descriptor"]["trainable"] = False
        fix_params["model"]["fitting_net"]["trainable"] = False
        free_descriptor = hasattr(self, "not_all_grad") and self.not_all_grad
        if free_descriptor:
            # can not set requires_grad false for all parameters,
            # because the input coord has no grad, thus the loss if all set to false
            # we only check trainable for fitting net
            fix_params["model"]["descriptor"]["trainable"] = True
            trainer_fix = get_trainer(fix_params)
            model_dict_before_training = deepcopy(
                trainer_fix.model.get_fitting_net().state_dict()
            )
            trainer_fix.run()
            model_dict_after_training = deepcopy(
                trainer_fix.model.get_fitting_net().state_dict()
            )
        else:
>           trainer_fix = get_trainer(fix_params)

pt/test_training.py:63:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
../../deepmd/pt/entrypoints/main.py:189: in get_trainer
    trainer = training.Trainer(
../../deepmd/pt/train/training.py:335: in __init__
    self.model = get_single_model(
../../deepmd/pt/train/training.py:268: in get_single_model
    model = get_zbl_model(deepcopy(_model_params)).to(DEVICE)
../../deepmd/pt/model/model/__init__.py:127: in get_zbl_model
    pt_model = PairTabAtomicModel(
../../deepmd/utils/plugin.py:88: in __call__
    obj.__init__(*args, **kwargs)
../../deepmd/pt/model/atomic_model/pairtab_atomic_model.py:80: in __init__
    self.tab = self._set_pairtab(tab_file, rcut)
../../deepmd/pt/model/atomic_model/pairtab_atomic_model.py:120: in _set_pairtab
    return PairTab(tab_file, rcut)
../../deepmd/utils/pair_tab.py:38: in __init__
    self.reinit(filename, rcut)
../../deepmd/utils/pair_tab.py:56: in reinit
    self.vdata = np.loadtxt(filename)
/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/npyio.py:1373: in loadtxt
    arr = _read(fname, dtype=dtype, comment=comment, delimiter=delimiter,
/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/npyio.py:992: in _read
    fh = np.lib._datasource.open(fname, 'rt', encoding=encoding)
/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/_datasource.py:193: in open
    return ds.open(path, mode, encoding=encoding, newline=newline)
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _

self = <numpy.DataSource object at 0x15156cb15870>, path = 'source/tests/pt/model/water/data/zbl_tab_potential/H2O_tab_potential.txt', mode = 'rt'
encoding = None, newline = None

    def open(self, path, mode='r', encoding=None, newline=None):
        """
        Open and return file-like object.

        If `path` is an URL, it will be downloaded, stored in the
        `DataSource` directory and opened from there.

        Parameters
        ----------
        path : str
            Local file path or URL to open.
        mode : {'r', 'w', 'a'}, optional
            Mode to open `path`.  Mode 'r' for reading, 'w' for writing,
            'a' to append. Available modes depend on the type of object
            specified by `path`. Default is 'r'.
        encoding : {None, str}, optional
            Open text file with given encoding. The default encoding will be
            what `io.open` uses.
        newline : {None, str}, optional
            Newline to use when reading text file.

        Returns
        -------
        out : file object
            File object.

        """

        # TODO: There is no support for opening a file for writing which
        #       doesn't exist yet (creating a file).  Should there be?

        # TODO: Add a ``subdir`` parameter for specifying the subdirectory
        #       used to store URLs in self._destpath.

        if self._isurl(path) and self._iswritemode(mode):
            raise ValueError("URLs are not writeable")

        # NOTE: _findfile will fail on a new file opened for writing.
        found = self._findfile(path)
        if found:
            _fname, ext = self._splitzipext(found)
            if ext == 'bz2':
                mode.replace("+", "")
            return _file_openers[ext](found, mode=mode,
                                      encoding=encoding, newline=newline)
        else:
>           raise FileNotFoundError(f"{path} not found.")
E           FileNotFoundError: source/tests/pt/model/water/data/zbl_tab_potential/H2O_tab_potential.txt not found.

/home/jz748/anaconda3/lib/python3.10/site-packages/numpy/lib/_datasource.py:533: FileNotFoundError

[njzjz]

It happens when pytest is running in a different directory.