Hello all,
I am pretty new in LAMMPS. Trying to use my all processors to speed up the simulation. I downloaded the MPI.exe from Microsoft website and LAMMPS 64-bit 4Feb2025-MSMPI but I could not run the simulation with my processors. -lmp_mpi command is not working. Could you help with that?
Where does it say that the LAMMPS executable in that package is called “-lmp_mpi”?
Also, “not working” is not a scientific way to describe a situation. How does it not work, i.e. what exactly are you doing (and why?) and what is the result of that?
I have downloaded the latest package containing MSMPI. In the command line, instead of using lmp -in to run my script, I attempted to execute it with MPI by using lmp_mpi -in. However, I encountered an error stating lmp_mpi is not recognized. When I checked the Microsoft MPI files using mpiexec, I confirmed that MPI is correctly installed on my system. Nevertheless, I was unable to run my LAMMPS script. I apologize if my wording was unclear.
Why? Where does it say to do this?
I came across this command in installation tutorial videos and tried it out to see if it would work. Since I couldn’t figure out how to utilize my processors efficiently using the lmp -in command, I decided to give it a try. However, I believe it is not a valid or up-to-date command. My main goal is to understand how to properly run LAMMPS with MPI.
Additionally, I attempted to use the command mpiexec -localonly 16 lmp -in in.input -log out.output, but this time I received an error stating -localonly is not recognized.
Why don’t you try reading the official LAMMPS manual?
For example, this page: 4.1. Basics of running LAMMPS — LAMMPS documentation
As for mpiexec options, try running “mpiexec /?” to get the embedded help about supported options.