GROMACS version: 2019.6
I have recently downloaded gromacs 2019.6 and successfully integrated plumed 2.8.3 with it. But because metadynamic simulation is taking time of 30 days to execute a simulation of 10ns. i thought to compile cuda with gromacs. I have installed cuda 11.0 version to integrate with gromacs 2019.6
“cmake … -DGMX_BUILD_OWN_FFTW=OFF -DGMX_MPI=OFF -DREGRESSIONTEST_PATH=…/regressiontests-2019.6 -DGMX_SIMD:STRING=SSE4.1 -DGMX_EXTERNAL_PLUMED=ON -DPLUMED_LIBRARIES=/home/myousaf23/plumed-2.8.3/src/lib/libplumed.so -DPLUMED_INCLUDE_DIR=/home/myousaf23/plumed-2.8.3/src/include -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-11.0 -DGMX_USE_RDTSCP=ON -DCUDA_ARCH=70 -DGMX_PREFER_STATIC_LIBS=ON -DGMX_BUILD_SHARED_EXE=OFF -DGMX_X11=OFF -DGMX_EXTERNAL_BLAS=OFF -DGMX_EXTERNAL_LAPACK=OFF -DGMX_SIMD=NONE -DGMX_GPU=CUDA”.
the command ran successfully and build process was successful but make and make install commands are showing errors.
"[ 29%] Built target tng_io_obj
make[2]: Warning: File src/gromacs/CMakeFiles/lmfit_objlib.dir/flags.make' has modification time 3646 s in the future make[2]: warning: Clock skew detected. Your build may be incomplete. make[2]: Warning: File src/gromacs/CMakeFiles/lmfit_objlib.dir/flags.make’ has modification time 3646 s in the future
[ 29%] Building CXX object src/gromacs/CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o
[ 29%] Built target lmfit_objlib
make[2]: Warning: File `src/gromacs/CMakeFiles/libgromacs.dir/flags.make’ has modification time 3644 s in the future
[ 29%] Generating baseversion-gen.cpp
[ 29%] Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda.cu.o
nvcc fatal : Unsupported gpu architecture ‘compute_30’
CMake Error at libgromacs_generated_nbnxn_cuda.cu.o.cmake:207 (message):
Error generating
/home/myousaf23/gromacs-2019.6/build/src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/./libgromacs_generated_nbnxn_cuda.cu.o
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda.cu.o] Error 1
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2"
please guide what should i do?