Hi everybody,
Mike Brown at Intel recently provided a revised and improved version of the GPU package code which addresses several of the problems that have shown up over time, especially with the OpenCL support becoming incompatible with several vendor drivers.
Thus I have prepared test versions of precompiled Windows installer packages to give people an opportunity to test it and give feedback before we do an official release. We would like to hear what Windows/Driver/GPU/CPU combinations this is still failing and where it now works where it did not before. Also performance should be improved.
The packages are available at: https://rpm.lammps.org/windows/lammps-testing/
If you have the time and interest, please download, install, run the benchmark inputs at different sizes and report your experiences here.
Please provide details about your hardware and Windows version.
A highlight is that the updated OpenCL support now also allows using Intel GPUs (including those integrated in CPUs). Please see below output from an Intel Core i3-7100U CPU with HD 620 graphics, where the GPU leads to > 10x speedup over a single CPU core for mixed precision of a 108000 atom LJ system.