Test: Add a unit test for of_ml_gene_data, and update Autotest.sh

Author: sunliang98

source/source_io/module_parameter/read_input_item_ofdft.cpp

@@ -389,6 +389,7 @@ Note: Even dimensions may cause slight errors in FFT. It should be ignorable in
                 ModuleBase::WARNING_QUIT(
                     "ReadInput",
                     "of_ml_gene_data is only available for KSDFT with PW basis on a single MPI rank (NPROC = 1)");
+            }
         };
         read_sync_bool(input.of_ml_gene_data);
         this->add_item(item);

source/source_io/test_serial/read_input_item_test.cpp

@@ -1528,6 +1528,36 @@ TEST_F(InputTest, Item_test2)
         it->second.reset_value(it->second, param);
         EXPECT_EQ(param.input.of_read_kernel, false);
     }
+    { // of_ml_gene_data
+        auto it = find_label("of_ml_gene_data", readinput.input_lists);
+
+        param.input.of_ml_gene_data = true;
+        param.input.esolver_type = "ofdft";
+        param.input.basis_type = "pw";
+        GlobalV::NPROC = 1;
+        testing::internal::CaptureStdout();
+        EXPECT_EXIT(it->second.check_value(it->second, param), ::testing::ExitedWithCode(1), "");
+        output = testing::internal::GetCapturedStdout();
+        EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
+
+        param.input.of_ml_gene_data = true;
+        param.input.esolver_type = "ksdft";
+        param.input.basis_type = "lcao";
+        GlobalV::NPROC = 1;
+        testing::internal::CaptureStdout();
+        EXPECT_EXIT(it->second.check_value(it->second, param), ::testing::ExitedWithCode(1), "");
+        output = testing::internal::GetCapturedStdout();
+        EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
+
+        param.input.of_ml_gene_data = true;
+        param.input.esolver_type = "ksdft";
+        param.input.basis_type = "pw";
+        GlobalV::NPROC = 2;
+        testing::internal::CaptureStdout();
+        EXPECT_EXIT(it->second.check_value(it->second, param), ::testing::ExitedWithCode(1), "");
+        output = testing::internal::GetCapturedStdout();
+        EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
+    }
     { // dft_plus_u
         auto it = find_label("dft_plus_u", readinput.input_lists);
         param.input.dft_plus_u = 1;

tests/integrate/Autotest.sh

@@ -211,7 +211,7 @@ get_threshold()
     default_value=$3
     if [ -e $threshold_f ]; then 
         threshold_value=$(awk -v tn="$threshold_name" '$1==tn {print $2}' "$threshold_f")
-         if [ -n "$threshold_value" ]; then
+        if [ -n "$threshold_value" ]; then
             echo $threshold_value
         else
             echo $default_value
@@ -291,7 +291,8 @@ for dir in $testdir; do
                     my_force_threshold=$(get_threshold $threshold_file "force_threshold" $force_threshold)
                     my_stress_threshold=$(get_threshold $threshold_file "stress_threshold" $stress_threshold)
                     my_fatal_threshold=$(get_threshold $threshold_file "fatal_threshold" $fatal_threshold)
-                    check_out result.out $my_threshold $my_force_threshold $my_stress_threshold $my_fatal_threshold $descriptor_threshold
+                    my_descriptor_threshold=$(get_threshold $threshold_file "descriptor_threshold" $descriptor_threshold)
+                    check_out result.out $my_threshold $my_force_threshold $my_stress_threshold $my_fatal_threshold $my_descriptor_threshold
                 fi
             else
                 bash -e ../../integrate/tools/catch_properties.sh result.ref