added gpu test

src/CMakeLists.txt

@@ -183,6 +183,17 @@ if(BUILD_EXE)
         COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 ${MPIEXEC_PREFLAGS} "${CMAKE_BINARY_DIR}/bin/sisso++" "${CMAKE_SOURCE_DIR}/tests/exec_test/override_sis/sisso.json" ${MPIEXEC_POSTFLAGS}
     )
 
+    if(SISSO_ENABLE_CUDA)
+         add_test(
+            NAME Regression_GPU
+            COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 1 ${MPIEXEC_PREFLAGS} "${CMAKE_BINARY_DIR}/bin/sisso++" "${CMAKE_SOURCE_DIR}/tests/exec_test/regression_gpu/sisso.json" ${MPIEXEC_POSTFLAGS}
+        )
+        add_test(
+            NAME Regression_MPI_2_RANKS_GPU
+            COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 2 ${MPIEXEC_PREFLAGS} "${CMAKE_BINARY_DIR}/bin/sisso++" "${CMAKE_SOURCE_DIR}/tests/exec_test/regression_gpu/sisso.json" ${MPIEXEC_POSTFLAGS}
+        )
+    endif()
+
     if(BUILD_PARAMS)
         add_test(
             NAME NL_Optimization

src/loss_function/utils.cpp

@@ -52,7 +52,7 @@ std::shared_ptr<LossFunction> loss_function_util::get_loss_function(
             prop_train, prop_test, task_sizes_train, task_sizes_test);
     }
 
-    throw std::logic_error("LossFunction type was not defined.");
+    throw std::logic_error(fmt::format("LossFunction type ({}) was not defined.", type));
     return nullptr;
 }
 

tests/exec_test/regression_gpu/check_model.py

+from sissopp import ModelRegressor
+from pathlib import Path
+
+import numpy as np
+
+model = ModelRegressor(
+    str("models/train_dim_2_model_0.dat"), str("models/test_dim_2_model_0.dat")
+)
+assert model.rmse < 1e-4
+assert model.test_rmse < 1e-4

tests/exec_test/regression_gpu/sisso.json

+{
+    "calc_type": "regression_gpu",
+    "desc_dim": 2,
+    "n_sis_select": 2,
+    "max_rung": 2,
+    "n_residual": 1,
+    "data_file": "../data.csv",
+    "data_file_relatice_to_json": true,
+    "property_key": "Prop",
+    "task_key": "Task",
+    "leave_out_frac": 0.05,
+    "n_models_store": 1,
+    "leave_out_inds": [0, 1, 2, 60, 61],
+    "fix_intercept": false,
+    "phi_out_file": "feature_space/phi.txt"
+}