Fix(input): require explicit GPU device selection (deepmodeling#7720)

* Fix(input): require explicit GPU device selection

* Fix(input): retain explicit auto device option

* Fix(input): require explicit GPU device selection

Author: Stardust0831

source/source_base/module_device/device.cpp

@@ -63,8 +63,8 @@ bool probe_gpu_availability() {
 std::string get_device_flag(const std::string &device,
                             const std::string &basis_type) {
     // 1. Validate input string
-    if (device != "cpu" && device != "gpu" && device != "auto") {
-        ModuleBase::WARNING_QUIT("device", "Parameter \"device\" can only be set to \"cpu\", \"gpu\", or \"auto\"!");
+    if (device != "cpu" && device != "gpu") {
+        ModuleBase::WARNING_QUIT("device", "Parameter \"device\" can only be set to \"cpu\" or \"gpu\"!");
     }
 
     // NOTE: This function is called only on rank 0 during input parsing.
@@ -80,15 +80,6 @@ std::string get_device_flag(const std::string &device,
         } else {
             ModuleBase::WARNING_QUIT("device", "Device is set to 'gpu', but no available GPU was found. Please check your hardware/drivers or set 'device=cpu'.");
         }
-    } else if (device == "auto") {
-        if (probe_gpu_availability()) {
-            result = "gpu";
-            // std::cout << " INFO: 'device=auto' specified. GPU detected and will be used." << std::endl;
-        } else {
-            result = "cpu";
-            // std::cout << " WARNING: 'device=auto' specified, but no GPU was found. Falling back to CPU." << std::endl;
-            // std::cout << "          To suppress this warning, please explicitly set 'device=cpu' in your input." << std::endl;
-        }
     } else { // device == "cpu"
         result = "cpu";
         // std::cout << " INFO: 'device=cpu' specified. CPU will be used." << std::endl;

source/source_io/module_parameter/input_parameter.h

@@ -69,7 +69,7 @@ struct Input_para
     std::string kmesh_type = "gamma";               ///< k-point mesh type for kspacing-generated k-point mesh: gamma or mp
     double min_dist_coef = 0.2;                     ///< allowed minimum distance between two atoms
 
-    std::string device = "auto";
+    std::string device = "cpu";
     std::string precision = "double";
     std::string gint_precision = "double";
     bool timer_enable_nvtx = false;

source/source_io/test_serial/read_input_test.cpp

@@ -7,6 +7,7 @@
 #include "gtest/gtest.h"
 #include <cstdio>
 #include <fstream>
+#include <stdexcept>
 
 // mock
 namespace GlobalV
@@ -120,6 +121,7 @@ TEST_F(InputTest, Selfconsistent_Read)
         Parameter param;
         // readinput.read_parameters(param, "./empty_INPUT");
         EXPECT_NO_THROW(readinput.read_parameters(param, "./empty_INPUT"));
+        EXPECT_EQ(param.inp.device, "cpu");
         readinput.write_parameters(param, "./my_INPUT1");
         readinput.clear();
         // readinput.read_parameters(param, "./my_INPUT1");
@@ -152,6 +154,20 @@ TEST_F(InputTest, Selfconsistent_Read)
     }
 }
 
+TEST_F(InputTest, RejectAutoDevice)
+{
+    std::ofstream input("auto_device_INPUT");
+    input << "INPUT_PARAMETERS\n"
+          << "device auto\n";
+    input.close();
+
+    ModuleIO::ReadInput readinput(0);
+    readinput.check_ntype_flag = false;
+    Parameter param;
+    EXPECT_THROW(readinput.read_parameters(param, "./auto_device_INPUT"), std::runtime_error);
+    EXPECT_TRUE(std::remove("./auto_device_INPUT") == 0);
+}
+
 TEST_F(InputTest, Check)
 {
     ModuleIO::ReadInput readinput(0);
@@ -175,4 +191,4 @@ TEST_F(InputTest, Check)
     std::string output = testing::internal::GetCapturedStdout();
     EXPECT_THAT(output, testing::HasSubstr("INPUT parameters have been successfully checked!"));
     EXPECT_TRUE(std::remove("./INPUT.ref") == 0);
-}
+}