How to run lammps with GPU package in windows10?

Question

I installed LAMMPS on WIndows 10 to perform calculations on the GPU. Calculations on a very small scale completed without any problems, but when calculating a structure of some scale, I got the following error.

OpenCL error in file '/home/akohlmey/compile/lammps-packages/mingw-cross/lammps/lib/gpu/geryon/ocl_kernel.h' in line 467 : -4.

What kind of operation can I do to solve this? My English is poor, but thank you for your kindness.

Answer 1

Error code -4 hints to failed memory allocation, especially if not enough memory is available on the device. Maybe your calculations require too much memory. Also check if you selected the correct device (dedicated GPU rather than CPU or integrated graphics with small memory capacity).

Answer 2

It is more easy to run Lammps on Linux, you can create a virtual machine and then run your programs. I use Ubuntu and i doesn't have that kind of errors.

I hope my comment help you.

https://docs.lammps.org/Install_linux.html