linux gcc编译只能编译一条,请教一个gcc编译器的问题啊

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楼主要跑分子动力学？

放弃GNU编译器，改用Intel编译器吧。

另外gromacs不用CMake也能编译。

export CC=icc

export CXX=icpc

export F77=ifort

export MPICC=mpicc

export CFLAGS=-O2

export CXXFLAGS=-O2

export FFLAGS=-O2

export CPPFLAGS=-I$HOME/lib/fftw-3.3.4-sp/include

export LDFLAGS=-L/$HOME/lib/fftw-3.3.4-sp/lib

# with multi-thread support

./configure --prefix=$HOME/workspace/abc/gromacs-4.5.4-mt \

--enable-shared=no --enable-fortran \

--enable-mpi \

--with-fft=fftw3 \

--with-external-blas="-Wl,--start-group $HOME/lib/mkl-mkl-13.0.080/libmkl_intel_lp64.a \

$HOME/lib/mkl-mkl-13.0.080/libmkl_sequential.a \

$HOME/lib/mkl-mkl-13.0.080/libmkl_core.a -Wl,--end-group" \

--with-external-lapack="-Wl,--start-group $HOME/lib/mkl-mkl-13.0.080/libmkl_intel_lp64.a \

$HOME/lib/mkl-mkl-13.0.080/libmkl_sequential.a \

$HOME/lib/mkl-mkl-13.0.080/libmkl_core.a -Wl,--end-group"