Can‘t compile with USE_CUDA=1 and ENABLE_DEEPKS=1 simultaneously #5910
Description
Describe the bug
I can compile ABACUS with USE_CUDA=1 or ENABLE_DEEPKS=1.
But I can't compile with USE_CUDA=1 and ENABLE_DEEPKS=1 simultaneously.
The cmake error is:
CMake Error at cmake/FindMKL.cmake:87 (add_library):
add_library cannot create ALIAS target "IntelMKL::MKL" because another
target with the same name already exists.
Call Stack (most recent call first):
/home/xuan/03_library/libtorch-2.3.1/share/cmake/Caffe2/public/mkl.cmake:1 (find_package)
/home/xuan/03_library/libtorch-2.3.1/share/cmake/Caffe2/Caffe2Config.cmake:113 (include)
/home/xuan/03_library/libtorch-2.3.1/share/cmake/Torch/TorchConfig.cmake:68 (find_package)
CMakeLists.txt:499 (find_package)-- Found Torch: /home/xuan/03_library/libtorch-2.3.1/lib/libtorch.so
-- Checking for one of the modules 'libxc'
-- Found Libxc: /home/xuan/03_library/libxc/libxc-5.2.3/lib/libxc.a
-- Found Libxc: version 5.2.3
-- Configuring incomplete, errors occurred!
I used oneapi of 2022. If I use the 2024 version, it seems that there is a mismatch between compiler and cudatoolkit, with the error of "Could not find librt library, needed by CUDA::cudart_static"
@dyzheng @caic99 @dzzz2001 Can you help me?
Expected behavior
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To Reproduce
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Environment
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Additional Context
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