I am new to using this lammps software to carry out MD simulations.
Before I go into parallelizing issues, I would like to know how to run an example simulation on my personal computer (that doesnt have MPI). If some can please give me a detailed procedure on how to start makin, running and monitoring the simulation for a single processor, it would be great. I am using lammps on cygwin. I hope someone would reply soon.
Use Makefile.cygwin to make LAMMPS for a cygwin box. The manual
has extensive info on how to do all the things you ask, including the
Start by building LAMMPS under cygwin. I do this
regularly, so this should be easy. Just type "make
cygwin" in the src folder. If that doesn't work, you
might need to modify your make file.
Then try running an example problem.
Please do read the documentation here:
--- Venkat Padmanabhan <[email protected]>