diff --git a/deepmd/fit/ener.py b/deepmd/fit/ener.py index bb1a3844b6..f554054887 100644 --- a/deepmd/fit/ener.py +++ b/deepmd/fit/ener.py @@ -378,10 +378,16 @@ def build (self, if input_dict is None: input_dict = {} bias_atom_e = self.bias_atom_e - if self.numb_fparam > 0 and ( self.fparam_avg is None or self.fparam_inv_std is None ): - raise RuntimeError('No data stat result. one should do data statisitic, before build') - if self.numb_aparam > 0 and ( self.aparam_avg is None or self.aparam_inv_std is None ): - raise RuntimeError('No data stat result. one should do data statisitic, before build') + if self.numb_fparam > 0: + if self.fparam_avg is None: + self.fparam_avg = 0. + if self.fparam_inv_std is None: + self.fparam_inv_std = 1. + if self.numb_aparam > 0: + if self.aparam_avg is None: + self.aparam_avg = 0. + if self.aparam_inv_std is None: + self.aparam_inv_std = 1. with tf.variable_scope('fitting_attr' + suffix, reuse = reuse) : t_dfparam = tf.constant(self.numb_fparam, @@ -527,7 +533,12 @@ def init_variables(self, suffix to name scope """ self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def) - + if self.numb_fparam > 0: + self.fparam_avg = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_fparam_avg' % suffix) + self.fparam_inv_std = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_fparam_istd' % suffix) + if self.numb_aparam > 0: + self.aparam_avg = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_aparam_avg' % suffix) + self.aparam_inv_std = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_aparam_istd' % suffix) def enable_compression(self, model_file: str,