自制安装后从命令行调用LAMMPS

Question

I am trying to invoke the LAMMPS package from the terminal (OSX).

The documentation here seems to indicate that under Mac OSX it will 'just work' and here they are using the following command to interface to the library

$ lmp_linux

I installed the script with homebrew via this minimalistic documentation and I have checked the installation is correct. I feel that this is something someone more familiar with homebrew installations may be able to quickly answer

Answer 1

brew info lammps

this will tell you where you installed the package. It appears as though you haven't "Made" the executable yet. This page states that you need to navigate to your src/ file (probably in ~/Documents/Lammps\\ Turball/src/ or similar following your homebrew download).

Now in the src/ folder in terminal type one of the following commands

make mpi
make serial

Read the docs though here for more information.

Answer 2

To call LAMMPS just type in your terminal: lmp_mpi or lmp_serial. To get further help just type lmp_mpi -h or lmp_serial -h.