学了两年分子动力学,都是在自已编程序。最近发现lammps很火,为了使用lammps又装了linux,我推荐大家用ubuntu。
为了方便在右键菜单中加入打开终端:
sudo apt-get install nautilus-open-terminal
将软件包下载到ubuntu上,解包
进入STUBS文件夹
鼠标右键打开终端
在提示符下输入:make
返回到上级src目录下
鼠标右键打开终端
在提示符下输入:make
出现的提示内容如下
Type "make target" where target is one of:
# altix = SGI Altix, Intel icc, MPI, FFTs from SGI SCSL library
# bgl = LLNL Blue Gene Light machine, xlC, native MPI, FFTW
# cheetah = ORNL IBM machine, mpCC, native MPI, FFTW
# crockett = RedHat Linux box, mpiCC, LAM MPI, no FFTs
# cygwin = Windows Cygwin, mpicxx, FFTW
# debian = Debian, g++, MPICH, FFTW
# diesel = SGI Origin 350, 64-bit, SGI MIPSpro CC, SGI MPT, SGI SCSL MP FFTs
# fink = Mac OS-X w/ fink installed libraries, c++, no MPI, FFTW 2.1.5
# g++ = RedHat Linux box, g++, MPICH, FFTW
# g++_meam = RedHat Linux box, g++, MPICH, FFTW, MEAM
# g++_poems = RedHat Linux box, g++, MPICH, FFTW, POEMS library
# liberty = HP cluster with dual 3.0 GHz Xeons, mpiCC, native MPI, FFTW
# liberty_poems_meam = HP cluster w/ dual Xeons, mpiCC, native MPI, FFTW, POEMS/MEAM libs
# linux = RedHat Linux box, Intel icc, MPICH, FFTW
# linux_poems_meam = RedHat Linux box, Intel icc, MPICH, FFTW, POEMS & MEAM lib
# mac = Apple PowerBook G4 laptop, c++, no MPI, FFTW 2.1.5
# odin = 1400 cluster, g++, MPICH, no FFTs
# ross = CPlant cluster (compile on taylor), c++, native MPI, DEC FFTs
# seaborg = NERSC IBM machine, mpCC, native MPI, FFTW
# serial = RedHat Linux box, g++, no MPI, no FFTs
# solaris = Sun box, c++, no MPI, no FFTs
# spirit = HP cluster with dual 3.4 GHz EM64T (64 bit), mpiCC, native MPI, FFTW
# squall = Red Squall (compile on srnsquall), pgiCC, MPI, FFTW
# storm = Cray Red Storm, Cray mpicxx, native MPI, FFTW
# storm_poems = Cray Red Storm, Cray mpicxx, native MPI, FFTW, POEMS library
# tbird = Dell cluster with dual 3.6 GHz Xeons, Intel mpicxx, native MPI, FFTW
# tbird2 = Dell cluster with dual 3.6 GHz Xeons, Intel mpicxx, native MPI, FFTW
# tesla = 16-proc SGI Onyx3, g++, no MPI, SGI FFTs
# tflop = Intel Tflops (compile on sasn100), ciCC, native MPI, Intel FFTs
# valor = HP cluster with dual Xeons, mpiCC, native MPI, FFTW
# ydl = Yellow Dog Linux box, xlc -q64, MPICH, FFTW
然后选择合适的,然后在终端提示符下输入:make serial //选择这个是最好通过的
编译成功,可执行程序为lmp_serial