Dear professor:
I installed amber 20 on Dell server with Rocky linux 9.1 OS. The necessary dependent libraries have been installed successfully before. But when I run ./run_cmake, there were errors occurred:
-- Amber source found, building AmberTools and Amber
CUDA_TOOLKIT_ROOT_DIR not found or specified
-- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA _INCLUDE_DIRS CUDA_CUDART_LIBRARY)
-- Miniconda is installed in the build directory!
CMake Error at cmake/PythonBuildConfig.cmake:129 (message):
Failed to determine relative PYTHONPATH: python command failed with error
Traceback (most recent call last):
File "<string>", line 1, in <module>
KeyError: 'unix_prefix'
Call Stack (most recent call first):
CMakeLists.txt:122 (include)
-- Configuring incomplete, errors occurred!
See also "/data/shangyudong/software/amber20_src/build/CMakeFiles/CMakeOutput.log".
If the cmake build report looks OK, you should now do the following:
make install
source /data/shangyudong/software/amber20/amber.sh
Consider adding the last line to your login startup script, e.g. ~/.bashrc
And I have not compiled CUDA yet. There was not any problem when I installed amber20 on CENTOS8. Please tell me how can I solve these problems? Are there any other probable errors will occur when I compile mpi and CUDA further on Rocky linux 9.1 OS?
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Received on Thu Nov 30 2023 - 09:30:03 PST
