fix(cc,pt): translate PT exceptions to the DeePMD-kit exception (#3918)

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **New Features**
- Enhanced error handling with the new `translate_error` method,
improving the user experience by providing clearer error messages during
model initialization and computation.
  
- **Tests**
- Added a test to verify exception handling when initializing `DeepPot`
with a non-existent file.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

source/api_cc/include/DeepPotPT.h

@@ -329,6 +329,12 @@ class DeepPotPT : public DeepPotBase {
   bool gpu_enabled;
   at::Tensor firstneigh_tensor;
   torch::Dict<std::string, torch::Tensor> comm_dict;
+  /**
+   * @brief Translate PyTorch exceptions to the DeePMD-kit exception.
+   * @param[in] f The function to run.
+   * @example translate_error([&](){...});
+   */
+  void translate_error(std::function<void()> f);
 };
 
 }  // namespace deepmd

source/api_cc/src/DeepPotPT.cc

@@ -2,13 +2,34 @@
 #ifdef BUILD_PYTORCH
 #include "DeepPotPT.h"
 
+#include <torch/csrc/jit/runtime/jit_exception.h>
+
 #include <cstdint>
 
 #include "common.h"
 #include "device.h"
+#include "errors.h"
 
 using namespace deepmd;
 
+void DeepPotPT::translate_error(std::function<void()> f) {
+  try {
+    f();
+    // it seems that libtorch may throw different types of exceptions which are
+    // inherbited from different base classes
+    // https://github.com/pytorch/pytorch/blob/13316a8d4642454012d34da0d742f1ba93fc0667/torch/csrc/jit/runtime/interpreter.cpp#L924-L939
+  } catch (const c10::Error& e) {
+    throw deepmd::deepmd_exception("DeePMD-kit PyTorch backend error: " +
+                                   std::string(e.what()));
+  } catch (const torch::jit::JITException& e) {
+    throw deepmd::deepmd_exception("DeePMD-kit PyTorch backend JIT error: " +
+                                   std::string(e.what()));
+  } catch (const std::runtime_error& e) {
+    throw deepmd::deepmd_exception("DeePMD-kit PyTorch backend error: " +
+                                   std::string(e.what()));
+  }
+}
+
 torch::Tensor createNlistTensor(const std::vector<std::vector<int>>& data) {
   std::vector<torch::Tensor> row_tensors;
 
@@ -26,7 +47,7 @@ DeepPotPT::DeepPotPT(const std::string& model,
                      const std::string& file_content)
     : inited(false) {
   try {
-    init(model, gpu_rank, file_content);
+    translate_error([&] { init(model, gpu_rank, file_content); });
   } catch (...) {
     // Clean up and rethrow, as the destructor will not be called
     throw;
@@ -444,8 +465,10 @@ void DeepPotPT::computew(std::vector<double>& ener,
                          const std::vector<double>& box,
                          const std::vector<double>& fparam,
                          const std::vector<double>& aparam) {
-  compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
-          fparam, aparam);
+  translate_error([&] {
+    compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
+            fparam, aparam);
+  });
 }
 void DeepPotPT::computew(std::vector<double>& ener,
                          std::vector<float>& force,
@@ -457,8 +480,10 @@ void DeepPotPT::computew(std::vector<double>& ener,
                          const std::vector<float>& box,
                          const std::vector<float>& fparam,
                          const std::vector<float>& aparam) {
-  compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
-          fparam, aparam);
+  translate_error([&] {
+    compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
+            fparam, aparam);
+  });
 }
 void DeepPotPT::computew(std::vector<double>& ener,
                          std::vector<double>& force,
@@ -473,8 +498,10 @@ void DeepPotPT::computew(std::vector<double>& ener,
                          const int& ago,
                          const std::vector<double>& fparam,
                          const std::vector<double>& aparam) {
-  compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
-          nghost, inlist, ago, fparam, aparam);
+  translate_error([&] {
+    compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
+            nghost, inlist, ago, fparam, aparam);
+  });
 }
 void DeepPotPT::computew(std::vector<double>& ener,
                          std::vector<float>& force,
@@ -489,8 +516,10 @@ void DeepPotPT::computew(std::vector<double>& ener,
                          const int& ago,
                          const std::vector<float>& fparam,
                          const std::vector<float>& aparam) {
-  compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
-          nghost, inlist, ago, fparam, aparam);
+  translate_error([&] {
+    compute(ener, force, virial, atom_energy, atom_virial, coord, atype, box,
+            nghost, inlist, ago, fparam, aparam);
+  });
 }
 void DeepPotPT::computew_mixed_type(std::vector<double>& ener,
                                     std::vector<double>& force,

source/api_cc/tests/test_deepmd_exception.cc

@@ -27,6 +27,10 @@ TEST(TestDeepmdException, deepmdexception_nofile_deeppot) {
   ASSERT_THROW(deepmd::DeepPot("_no_such_file.pb"), deepmd::deepmd_exception);
 }
 
+TEST(TestDeepmdException, deepmdexception_nofile_deeppot_pt) {
+  ASSERT_THROW(deepmd::DeepPot("_no_such_file.pth"), deepmd::deepmd_exception);
+}
+
 TEST(TestDeepmdException, deepmdexception_nofile_deeppotmodeldevi) {
   ASSERT_THROW(
       deepmd::DeepPotModelDevi({"_no_such_file.pb", "_no_such_file.pb"}),