lammps on CPU with GPU

Hi,

I’m just wondering if it is possible to run lammps on a CPU which has an internal GPU.

I was able to compile lammps on MacOS with an Intel CPU which has a GPU included.

However, when trying to execute LAMMPS with gpu, always the CPU device is chosen by opencl (which does not work by the way, some opencl error) and I have found no possibility to choose the GPU device.

Ocl_get_devices returns:

Found 1 platform(s).

Using platform: Apple Apple OpenCL 1.2 (Jun 23 2019 21:50:55)

Platform 0:

Device 0: “Intel® Core™ i5-5675R CPU @ 3.10GHz”

Type of device: CPU

Double precision support: Yes

Total amount of global memory: 8 GB

Number of compute units/multiprocessors: 4

Total amount of constant memory: 65536 bytes

Total amount of local/shared memory per block: 32768 bytes

Maximum group size (# of threads per block) 1024

Maximum item sizes (# threads for each dim) 1024 x 1 x 1

Clock rate: 3.1 GHz

ECC support: No

Device fission into equal partitions: No

Device fission by counts: No

Device fission by affinity: No

Maximum subdevices from fission: 0

Device 1: “Intel® Iris™ Pro Graphics 6200”

Type of device: GPU

Double precision support: No

Total amount of global memory: 1.5 GB

Number of compute units/multiprocessors: 48

Total amount of constant memory: 65536 bytes

Total amount of local/shared memory per block: 65536 bytes

Maximum group size (# of threads per block) 256

Maximum item sizes (# threads for each dim) 256 x 256 x 256

Clock rate: 1.1 GHz

ECC support: No

Device fission into equal partitions: No

Device fission by counts: No

Device fission by affinity: No

Maximum subdevices from fission: 0

Best regards,

Holger

It should be possible since the GPU package documentation says that opencl can be used: https://lammps.sandia.gov/doc/Speed_gpu.html. Make sure you’re using the latest version of LAMMPS and follow the directions in the link (under Required Hardware/Software).

Will

Glad to hear that you solved the issue!