Building Lammps for M3 mac

[galilee]

[lammps-users] Building Lammps on M1 Mac

Hi All, I have been trying to build and run lammps from an M1 Mac for months now with limited success. I am able to run example scripts using a version of lammps installed through homebrew with no problems, however I have not been able to figure out a way to download the USER-REAXC package through homebrew, which led me to the next method of lammps installation: from tarball. I downloaded the most recent version (29 Oct 2020) from the lammps site and followed the rest of the installation steps …

Hello, I am new to Lammps which I am setting up with MACE for my research group. I have the new apple M3 computer and I was able to configure the cmake build for the ARM 64 architecture. Although, I had to remove dependencies for the intel MKL library which can not be installed on the new mac. It appears to be working and the the executable includes MACE functionality. I see a previous post discussing the build issues although it is from a couple of years ago. I wanted to see if anyone would be interested in discussing this issue further, and find out if there might be any problems with leaving out the intel based library, and if other solutions have been found.

Thanks

[akohlmey]

@galilee

I am new to Lammps

…and new to MatSci. For that you first have to learn to post to the correct forum category.
When asking about compiling/installing LAMMPS, there is the “LAMMPS Installation” category.

@galilee

with MACE for my research group

For that you are in the completely wrong place. MACE is not a part of the LAMMPS distribution and thus the LAMMPS developers know nothing about it and cannot comment about it. Instead, you should discuss with the MACE developers and use whatever forum or similar that have designated for that.