fix code

Author: HydrogenSulfate

source/api_cc/include/DeepPotPD.h

@@ -392,7 +392,8 @@ class DeepPotPD : public DeepPotBackend {
   int do_message_passing;  // 1:dpa2 model 0:others
   bool gpu_enabled;
   std::unique_ptr<paddle_infer::Tensor> firstneigh_tensor;
-
+  std::unique_ptr<paddle_infer::Tensor> mapping_tensor;
+  // std::vector<paddle_infer::Tensor> comm_vec;
   /* comm_vec flatten all the communicatoin tensors below from comm dict:
   - [0] send_list
   - [1] send_proc
@@ -401,10 +402,6 @@ class DeepPotPD : public DeepPotBackend {
   - [4] recv_num
   - [5] communicator
   */
-  std::vector<paddle_infer::Tensor> comm_vec;
-
-  std::unique_ptr<paddle_infer::Tensor> mapping_tensor =
-      predictor_fl->GetInputHandle("mapping");
 };
 
 }  // namespace deepmd

source/api_cc/src/DeepPotPD.cc

@@ -223,7 +223,7 @@ void DeepPotPD::compute(ENERGYVTYPE& ener,
       sendnum_tensor->CopyFromCpu(lmp_list.sendnum);
       auto communicator_tensor = predictor_fl->GetInputHandle("communicator");
       communicator_tensor->Reshape({1});
-      if (lmp_list.world > 0) {
+      if (lmp_list.world) {
         communicator_tensor->CopyFromCpu(static_cast<int*>(lmp_list.world));
       }
       int total_send =
@@ -244,14 +244,16 @@ void DeepPotPD::compute(ENERGYVTYPE& ener,
       for (size_t ii = 0; ii < nall_real; ii++) {
         mapping[ii] = lmp_list.mapping[fwd_map[ii]];
       }
+      this->mapping_tensor = predictor_fl->GetInputHandle("mapping");
       this->mapping_tensor->Reshape({1, nall_real});
       this->mapping_tensor->CopyFromCpu(mapping.data());
     }
   }
   std::vector<int> firstneigh = createNlistTensorPD(nlist_data.jlist);
-  firstneigh_tensor = predictor_fl->GetInputHandle("nlist");
-  firstneigh_tensor->Reshape({1, nloc, (int)firstneigh.size() / (int)nloc});
-  firstneigh_tensor->CopyFromCpu(firstneigh.data());
+  this->firstneigh_tensor = predictor_fl->GetInputHandle("nlist");
+  this->firstneigh_tensor->Reshape(
+      {1, nloc, (int)firstneigh.size() / (int)nloc});
+  this->firstneigh_tensor->CopyFromCpu(firstneigh.data());
   bool do_atom_virial_tensor = atomic;
   std::unique_ptr<paddle_infer::Tensor> fparam_tensor;
   if (!fparam.empty()) {