GROMACS运行出错了，求助中
答案:1 悬赏:40
解决时间 2021-01-26 15:58
- 提问者网友：暮烟疏雨之际
- 2021-01-25 20:50
GROMACS运行出错了，求助中
最佳答案
- 二级知识专家网友：妄饮晩冬酒
- 2021-01-25 21:32
gromacs安装流程
(1)tar -zxvf fftw-3.1.2.tar.gz tar –zxvf gromacs-3.3.1.tar.gz tar -zxvf lam-7.1.3.tar.gz (2)cd lam-7.1.3 ./configure --prefix=/home/lam-7.1.3 --without-fc --with-rsh="ssh-x" make make install (3)export PATH=$PATH:/home/lam-7.1.3/bin ( append to .bashrc) (4)cd fftw-3.1.2 ./configure --enable-float --enable-mpi --prefix=/home/fftw-3.1.2 make make install make distclean ./configure --prefix=/home/fftw-3.1.2 --enable-mpi (3)export CPPFLAGS=-I/home/fftw-3.1.2/include export LDFLAGS=-L/home/fftw-3.1.2/lib (4)cd gromacs-3.3.1 ./configure --prefix=/home/gromacs-3.3.1 --enable-mpi make make install make distclean ./configure --prefix=/home/gromacs-3.3.1 --program-suffix=_d --enable-mpi --disable-float (5)export PATH=$PATH:/home/gromacs-3.3.1/bin ( append to .bashrc) (6)make contrib
(1)tar -zxvf fftw-3.1.2.tar.gz tar –zxvf gromacs-3.3.1.tar.gz tar -zxvf lam-7.1.3.tar.gz (2)cd lam-7.1.3 ./configure --prefix=/home/lam-7.1.3 --without-fc --with-rsh="ssh-x" make make install (3)export PATH=$PATH:/home/lam-7.1.3/bin ( append to .bashrc) (4)cd fftw-3.1.2 ./configure --enable-float --enable-mpi --prefix=/home/fftw-3.1.2 make make install make distclean ./configure --prefix=/home/fftw-3.1.2 --enable-mpi (3)export CPPFLAGS=-I/home/fftw-3.1.2/include export LDFLAGS=-L/home/fftw-3.1.2/lib (4)cd gromacs-3.3.1 ./configure --prefix=/home/gromacs-3.3.1 --enable-mpi make make install make distclean ./configure --prefix=/home/gromacs-3.3.1 --program-suffix=_d --enable-mpi --disable-float (5)export PATH=$PATH:/home/gromacs-3.3.1/bin ( append to .bashrc) (6)make contrib
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