charmm安装

tar xvf  mpich-3.4.3.tar.gz
cd mpich-3.4.3/
 ./configure --with-device=ch3 --prefix="/home/jawang/software/mpich-3.4.3/"
 cd ..
mkdir mpich3.4.3
cd mpich-3.4.3/
 ./configure --with-device=ch3 --prefix="/home/jawang/software/mpich3.4.3/"
 make install -j 16             

 tar xvf charmm.tar.gz
cd charmm
./configure --prefix=/home/jawang/software/charmm_zlp/ --with-gnu MPICH
cd build/cmake/
make -j 16
make install