Hey!
I'm trying to install Amber on our RL 8.7 cluster and tried so with
CUDA 11.2.
gcc, g++ & gfortran (Debian 10.2.1-6) 10.2.1 20210110
GeForce RTX 3090
And got the following error happening at 92% at the "Building NVCC (Device) object src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o" step. Full Output from 92% is attached:
>26 errors detected in the compilation of "/software/Amber22AmberTools23/amber22_src/src/pmemd/src/xray/cuda/src/xray/BulkMaskGPU.cu".
>CMake Error at pmemd_xray_cuda_generated_BulkMaskGPU.cu.o.RELEASE.cmake:278 (message):
> Error generating file
> /software/Amber22AmberTools23/amber22_src/build/src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/./pmemd_xray_cuda_generated_BulkMaskGPU.cu.o
>make[2]: *** [src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/build.make:77: src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o] Error 1
>make[1]: *** [CMakeFiles/Makefile2:7494: src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/all] Error 2
>make: *** [Makefile:156: all] Error 2
My run_cmake looks like the following in the Linux section:
# Assume this is Linux:
cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \Please help and
-DCOMPILER=GNU \
-DMPI=FALSE -DCUDA=TRUE -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-11.2 -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE -DFORCE_INTERNAL_LIBS="fftw"\
2>&1 | tee cmake.log
fi
Please help me out, thank you, and all the best
Florian
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Received on Tue Jun 06 2023 - 06:00:04 PDT
