Ocl-get-devices found the GPU, but still unablt to initilization the device

Hi everyone,

I faced a interesting issue about the GPU accurate simulation.

I have access to a NVIDIA GTX 1660 SUPER with Windows 10 as the current OS. Following the guide, the CUDA was linked to the Lammps. Via ocl_get_devices.exe, the information of the GPUs showed as follows:

Found 1 platform(s).

Using platform: NVIDIA Corporation NVIDIA CUDA OpenCL 1.2 CUDA 11.0.197

Platform 0:

Device 0: “GeForce GTX 1660 SUPER”

Type of device: GPU

Double precision support: Yes

Total amount of global memory: 6 GB

Number of compute units/multiprocessors: 22

Total amount of constant memory: 65536 bytes

Total amount of local/shared memory per block: 49152 bytes

Maximum group size (# of threads per block) 1024

Maximum item sizes (# threads for each dim) 1024 x 1024 x 64

Clock rate: 1.785 GHz

ECC support: No

Device fission into equal partitions: No

Device fission by counts: No

Device fission by affinity: No

Maximum subdevices from fission: 1

It seems the device was accepted by Lammps, my version is LAMMPS 64-bit 15Apr2020-MPI.

However, when I test the device by applying the in.mea located in the Benchmarks folder, some errors happened, see

WARNING on proc 0: Cannot open log.lammps for writing (…/lammps.cpp:407)

LAMMPS (15 Apr 2020)

OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (…/comm.cpp:94)

using 1 OpenMP thread(s) per MPI task

Lattice spacing in x,y,z = 3.615 3.615 3.615

Created orthogonal box = (0 0 0) to (72.3 72.3 72.3)

1 by 2 by 2 MPI processor grid

Created 32000 atoms

create_atoms CPU = 0.0006229 secs

Reading potential file Cu_u3.eam with DATE: 2007-06-11