安装gromacs出错

emma_9821 · 发表于 Post on 2015-1-11 16:09:26

官网上下载了gromacs-5.0.4，按照INSTALL中说明安装，一开始出错，说是cmake版本不够，我就重新下载安装了cmake 3.1.0, 又下载安装了 fftw-3.3.4，然后再 cmake .. 结果还出错。这次是不是c/c++编译器版本不够呢？现在该怎么办呢？望老师指点。谢谢！

Performing C SOURCE FILE Test CFLAGS_EXCESS_PREC failed with the following output:
Change Dir: /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp
Run Build Command:"/usr/bin/gmake" "cmTryCompileExec2846660710/fast"
/usr/bin/gmake -f CMakeFiles/cmTryCompileExec2846660710.dir/build.make CMakeFiles/cmTryCompileExec2846660710.dir/build
gmake[1]: Entering directory `/home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp'
/usr/local/bin/cmake -E cmake_progress_report /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp/CMakeFiles 1
Building C object CMakeFiles/cmTryCompileExec2846660710.dir/src.c.o
/usr/bin/cc -DCFLAGS_EXCESS_PREC -fexcess-precision=fast -o CMakeFiles/cmTryCompileExec2846660710.dir/src.c.o -c /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp/src.c
cc1: error: unrecognized command line option "-fexcess-precision=fast"
gmake[1]: Leaving directory `/home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp'
gmake[1]: *** [CMakeFiles/cmTryCompileExec2846660710.dir/src.c.o] Error 1
gmake: *** [cmTryCompileExec2846660710/fast] Error 2
Source file was:
int main(void) { return 0; }
Performing C++ SOURCE FILE Test CXXFLAGS_EXCESS_PREC failed with the following output:
Change Dir: /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp
Run Build Command:"/usr/bin/gmake" "cmTryCompileExec3577638394/fast"
/usr/bin/gmake -f CMakeFiles/cmTryCompileExec3577638394.dir/build.make CMakeFiles/cmTryCompileExec3577638394.dir/build
gmake[1]: Entering directory `/home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp'
/usr/local/bin/cmake -E cmake_progress_report /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp/CMakeFiles 1
Building CXX object CMakeFiles/cmTryCompileExec3577638394.dir/src.cxx.o
/usr/bin/c++ -DCXXFLAGS_EXCESS_PREC -fexcess-precision=fast -o CMakeFiles/cmTryCompileExec3577638394.dir/src.cxx.o -c /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp/src.cxx
cc1plus: error: unrecognized command line option "-fexcess-precision=fast"
gmake[1]: *** [CMakeFiles/cmTryCompileExec3577638394.dir/src.cxx.o] Error 1
gmake[1]: Leaving directory `/home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp'
gmake: *** [cmTryCompileExec3577638394/fast] Error 2
Source file was:
int main() { return 0;}
Determining if files io.h exist failed with the following output:
Change Dir: /home/gauss/gromacs-5.0.4/built/CMakeFiles/CMakeTmp

sobereva · 发表于 Post on 2015-1-11 17:35:18

你先看看当前的gcc版本。
出错原因是不支持-fexcess-precision=fast，有gcc版本太老而不支持的可能
我这里gcc 4.4.7，虽然不新，但也足够编译gmx 5.0了

emma_9821 · 发表于 Post on 2015-1-11 18:15:20

sob老师，我的版本也是：gcc (GCC) 4.4.7 20120313 (Red Hat 4.4.7-4)

sobereva · 发表于 Post on 2015-1-11 18:39:13

5.0.4没试过，5.0编译没问题。用的步骤都在此帖
Gromacs 5.0与4.6.7编译方法
http://sobereva.com/247

实在不行用4.6.7试试

emma_9821 · 发表于 Post on 2015-1-11 19:34:18

好的，谢谢sob老师，我试了4.6是行的， 5.0还是出现上面的错误:(，看来还是gcc版本问题

sobereva · 发表于 Post on 2015-1-11 20:54:45

emma_9821 发表于 2015-1-11 19:34
好的，谢谢sob老师，我试了4.6是行的， 5.0还是出现上面的错误，看来还是gcc版本问题

5.0没什么额外好处，好多命令还变了，速度也没提升（甚至感觉还下降了），还不如用4.6.7

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[GROMACS] 安装gromacs出错