cmake .. -DCMAKE_INSTALL_PREFIX=~/gromacs/ -DCMAKE_C_COMPILER=gcc-9 -DCMAKE_CXX_COMPILER=g++-9 -DGMX_BUILD_OWN_FFTW=on -DGMX_MPI=on -DGMX_GPU=onmakesudo make installvim ~/.bashrc source ~/.bashrc(5)openmpi安装(先装的这个)下载地址链接链接2.相关软件(1)VMD链接(2)Pymol链接(3...
在构建 docker 执行 Dockerfile 中的RUN apt-get update时报错 returned a non-zero code: 100。其大致错误内容如下格式: Get:36 http://ftp.uni-stuttgart.de/debian sid/main amd64 Packages.diff/Index [27.9 kB]Get:36 http://ftp.uni-stuttgart.de/debian sid/main amd64 Packages.diff/Index [27.9...
v retry -- sudo apt install --quiet -y --no-install-recommends gfortran liblapacke-dev libopenblas-dev ## for vsl/vtl v retry -- sudo apt install --quiet -y --no-install-recommends libhdf5-cpp-103 libhdf5-dev libhdf5-mpi-dev hdf5-tools libopenmpi-dev opencl-headers liblapacke-dev...
This error is mentioned herehttps://github.com/casadi/casadi/wiki/InstallationLinuxbtw, but this just says users should update Member MemberAuthor MemberAuthor MemberAuthor MemberAuthor MemberAuthor Member I have the openmpi stuff i think you have inverted that ...