Hi, I would like to be able to have two different versions of LAMMPS installed on my device. I already had the LAMMPS_GUI installed but now need the LAMMPS-MSMPI version to run more complex simulations. Is there a way of being to access both as at the minute, when I have downloaded the MSMPI, it wants to override the GUI.
Only when you compile LAMMPS yourself from source code and build a parallel LAMMPS executable that does not use the LAMMPS shared library (-D BUILD_SHARED_LIBS=OFF).
Please note, that LAMMPS-GUI has been compiled with support for multi-threading and OpenCL GPU acceleration, so you can still run in parallel (and possibly are by default), if the styles you are using support multi-threading. Also, if you need some serious parallelization, the extra CPUs of a local machine are not giving you much speedup compared to running on an HPC cluster. So running with MPI on a local machine may not be giving you enough speedup, unless your local machine is a bit of a “monster” (but who would want to run Windows on such a machine?).
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