gromacs 安装_Gromacs-4.6.2安装过程 - 分子模拟 - 小木虫 - 学术 科研 互动社区

楼主，有个问题想请教一下，我装geromacs的时候出错，但不知道应该怎么解决，不知楼主是否有经验？我是有设gpu的

/usr/bin/install -c -m 644 fftw3f.pc '/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/lib/pkgconfig'

Making install in threads

Making install in tests

Making install in mpi

Making install in doc

Making install in FAQ

/usr/bin/install -c -m 644 /home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/src/gmxfftw/doc/fftw3.info /home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/src/gmxfftw/doc/fftw3.info-1 /home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/src/gmxfftw/doc/fftw3.info-2 '/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/share/info'

install-info --info-dir='/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/share/info' '/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/share/info/fftw3.info'

This is not dpkg install-info anymore, but GNU install-info

See the man page for ginstall-info for command line arguments

Making install in tools

/bin/bash ../libtool   --mode=install /usr/bin/install -c fftwf-wisdom '/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/bin'

libtool: install: /usr/bin/install -c fftwf-wisdom /home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/bin/fftwf-wisdom

/usr/bin/install -c fftw-wisdom-to-conf '/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/bin'

/usr/bin/install -c -m 644 /home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/src/gmxfftw/tools/fftw-wisdom-to-conf.1 fftwf-wisdom.1 '/home/dell/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/share/man/man1'

Making install in m4

[  1%] Completed 'gmxfftw'

[  1%] Built target gmxfftw

[  1%] Building NVCC (Device) object src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o

In file included from /usr/local/cuda/include/cuda_runtime.h:59:0,

from <command-line>:0:

/usr/local/cuda/include/host_config.h:82:2: error: #error -- unsupported GNU version! gcc 4.7 and up are not supported!

CMake Error at gpu_utils_generated_gpu_utils.cu.o.cmake:198 (message):

Error generating

/home/dell/gromacs-4.6.3/build/src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o

make[2]: *** [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/./gpu_utils_generated_gpu_utils.cu.o] Error 1

make[1]: *** [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/all] Error 2

make: *** [all] Error 2，