Closed chem1912 closed 7 months ago
Hello, I am also pretty new in tinker9. In the installation documentation (https://github.com/TinkerTools/tinker9/blob/master/doc/manual/m/install/preq.rst) there is a notice that gcc4.85 has very bad support for C++11. The second try with gcc7.4.0 seems due to CUDA related issue. Please insure the number behind -DCOMPUTE_CAPABILITY is what Your graphic card supports (https://developer.nvidia.com/cuda-gpus). Check with nvcc --version You have installed CUDA correctly. If there is no output You have to set the path in .bashrc.
Hello, I am also pretty new in tinker9. In the installation documentation (https://github.com/TinkerTools/tinker9/blob/master/doc/manual/m/install/preq.rst) there is a notice that gcc4.85 has very bad support for C++11. The second try with gcc7.4.0 seems due to CUDA related issue. Please insure the number behind -DCOMPUTE_CAPABILITY is what Your graphic card supports (https://developer.nvidia.com/cuda-gpus). Check with nvcc --version You have installed CUDA correctly. If there is no output You have to set the path in .bashrc.
Thanks for your suggestion. I have solved this issue using gcc8.3.0.
Hello! I an trying to did the following to install Tinker9 v1.4.0 on gpu cluster, CentOS Linux 7 is the system. The GCC version is 4.8.5. I run the fellowing:
git clone --depth 1 --branch v1.4.0 https://github.com/tinkertools/tinker9
cd tinker9 && mkdir build
cd build
export PATH=/path_to_cmake/cmake-3.28.0-rc2-linux-x86_64/bin:$PATH
module load cuda/10.2 nvhpc/23.1
cmake -DCUDA_DIR=${CUDA_HOME} -DCOMPUTE_CAPABILITY=70 -DCMAKE_Fortran_COMPILER=gfortran -DCMAKE_BUILD_TYPE=release -DCMAKE_INSTALL_PREFIX=/export/home/csming/softwire/tinker9 -DGPU_LANG=cuda -DSTD=11 ..
make
Which gave this error:It seems that there is no error in the source code.
I also try gcc 7.4.0 with the following:
cmake -DCUDA_DIR=${CUDA_HOME} -DCOMPUTE_CAPABILITY=70 -DCMAKE_Fortran_COMPILER=gfortran -DCMAKE_BUILD_TYPE=release -DCMAKE_INSTALL_PREFIX=/export/home/csming/softwire/tinker9 -DGPU_LANG=cuda ..
make all
Then gave this error:Any idea on how to solve this?Thanks!