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[½»Á÷] gromacs ²¢ÐмÆËã ÒÑÓÐ7È˲ÎÓë

ÇóÖú¸÷λ´óÏÀ£¡ÎÒÊDzËÄñˮƽ£¬ÔÚѧУµÄ¹¤×÷Õ¾Éϰ²×°ÁËgrmacs4.5.5,µ«ÊDz»ÖªµÀ¿É²»¿ÉÒÔ²¢ÐмÆËã°¡£¬ÔÚÍøÉÏ¿´»¹ÐèÒª°²×°²¢Ðа棬ÕâôÂ鷳ô£¿ÓÐûÓв»ÓÃÖØÐ°²×°µÄ·½·¨ÄØ£¿±ÈÈç°²×°¸öÈí¼þ°üɶµÄ£¿gromacsÒѾ­³öÁË4.6.1ÁË£¬Ò²Ã»¿´µ½²¢Ðа氡
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./configure --prefix=HOME/lib/lam-7.1.4 --without-fc --with-rsh="ssh-x"
Make
Make install
Export PATH=&PATH:HOME/lib/lam-7.1.4/bin

./configure --enable-float --enable-mpi --prefix=/home/hzl/lib/ fftw-3.3.2
Make install
Make distclean
./configure --disable-float --enable-mpi --prefix=/home/hzl/lib/ fftw-3.3.2

export CPPFLAGS=-I/HOME/lib/fftw-3.3.2/include
export LDFLAGS=-L/HOME/lib/fftw-3.3.2/lib

./configure --prefix=/home/ gromacs-4.5.5 --enable-mpi --disable-shared
Make
Make install
make distclean
./configure --prefix=/HOME /lib/gromacs-4.5.5 --program-suffix=_d --enable-mpi --disable-float
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