diff --git a/source/api_cc/include/DeepPotPT.h b/source/api_cc/include/DeepPotPT.h index 973c02c434..4144249367 100644 --- a/source/api_cc/include/DeepPotPT.h +++ b/source/api_cc/include/DeepPotPT.h @@ -338,6 +338,7 @@ class DeepPotPT : public DeepPotBase { int do_message_passing; // 1:dpa2 model 0:others bool gpu_enabled; at::Tensor firstneigh_tensor; + c10::optional mapping_tensor; torch::Dict comm_dict; /** * @brief Translate PyTorch exceptions to the DeePMD-kit exception. diff --git a/source/api_cc/src/DeepPotPT.cc b/source/api_cc/src/DeepPotPT.cc index c03576635a..84629042f4 100644 --- a/source/api_cc/src/DeepPotPT.cc +++ b/source/api_cc/src/DeepPotPT.cc @@ -164,7 +164,6 @@ void DeepPotPT::compute(ENERGYVTYPE& ener, std::vector atype_64(datype.begin(), datype.end()); at::Tensor atype_Tensor = torch::from_blob(atype_64.data(), {1, nall_real}, int_option).to(device); - c10::optional mapping_tensor; if (ago == 0) { nlist_data.copy_from_nlist(lmp_list); nlist_data.shuffle_exclude_empty(fwd_map);