use ELPA_WITH_NVIDIA_GPU_VERSION to judge elpa setup gpu (#5163)

* use ELPA_WITH_NVIDIA_GPU_VERSION to judge elpa setup gpu

* fix the doc

* add some content in doc

* replace header file

* fix a elpa version 2011 bug

* fix include to adopt early version elpa

docs/advanced/acceleration/cuda.md

@@ -29,7 +29,9 @@ To compile and use ABACUS in CUDA mode, you currently need to have an NVIDIA GPU
 
 Check the [Advanced Installation Options](https://abacus-rtd.readthedocs.io/en/latest/advanced/install.html#build-with-cuda-support) for the installation of CUDA version support.
 
-When the compilation parameter USE_ELPA is ON (which is the default value) and USE_CUDA is also set to ON, the ELPA library needs to [enable GPU support](https://github.com/marekandreas/elpa/blob/master/documentation/INSTALL.md) at compile time.
+Setting both USE_ELPA and USE_CUDA to ON does not automatically enable ELPA to run on GPUs. ELPA support for GPUs needs to be enabled when ELPA is compiled. [enable GPU support](https://github.com/marekandreas/elpa/blob/master/documentation/INSTALL.md).
+
+The ABACUS program will automatically determine whether the current ELPA supports GPU based on the elpa/elpa_configured_options.h header file. Users can also check this header file to determine the GPU support of ELPA in their environment. ELPA introduced a new API elpa_setup_gpu in version 2023.11.001. So if you want to enable ELPA GPU in ABACUS, the ELPA version must be greater than or equal to 2023.11.001.
 
 ## Run with the GPU support by editing the INPUT script:
 

source/module_hsolver/diago_elpa_native.cpp

@@ -95,11 +95,17 @@ void DiagoElpaNative<T>::diag_pool(hamilt::MatrixBlock<T>& h_mat,
     elpa_setup(handle);
     elpa_set(handle, "solver", ELPA_SOLVER_1STAGE, &success);
 
-#ifdef __CUDA
+/*  ELPA_WITH_NVIDIA_GPU_VERSION is a symbol defined in elpa/elpa_configured_options.h
+    For example:
+    cat elpa/elpa_configured_options.h
+    #define ELPA_WITH_NVIDIA_GPU_VERSION 1
+    #define ELPA_WITH_AMD_GPU_VERSION 0
+    #define ELPA_WITH_SYCL_GPU_VERSION 0
+ */
+#if ELPA_WITH_NVIDIA_GPU_VERSION
     if (PARAM.globalv.device_flag == "gpu")
     {
         elpa_set(handle, "nvidia-gpu", 1, &success);
-
         elpa_set(handle, "real_kernel", ELPA_2STAGE_REAL_NVIDIA_GPU, &success);
         elpa_setup_gpu(handle);
     }

source/module_hsolver/genelpa/elpa_new.h

@@ -2,6 +2,8 @@
 
 #include <elpa/elpa_version.h>
 
+
+
 #if ELPA_API_VERSION >= 20221101
 #include <elpa/elpa.h>
 #else
@@ -25,8 +27,16 @@ extern "C"
 #include <elpa/elpa_generated.h>
     // #include <elpa/elpa_generic.h>
 #undef complex
+
     const char *elpa_strerr(int elpa_error);
+
+// This is a header file related to GPU support.
+// This header file was not available in the early ELPA.
+#if ELPA_API_VERSION >= 20231101
+#include <elpa/elpa_configured_options.h>
+#endif
 }
 
+
 #include "elpa_generic.hpp" // This is a wrapper for `elpa/elpa_generic.h`.
 #endif