Hi Lammps Users,
I’m running into a problem with the GPU package on our K20c (Kepler) GPUs, and I thought I’d ask in case someone has already found a solution. The examples/gpu/ run command and error message is:
130814lmp/examples/gpu(147): mpirun -machinefile mpihosts ./…/…/src/lmp_gpu -in in.gpu.melt.2.5 -sf gpu
ERROR: GPU library not compiled for this accelerator (…/gpu_extra.h:40)
It looks similar to the problem described here http://lammps.sandia.gov/threads/msg35893.html.
I use CUDA_ARCH=sm_35 (or 30 or 21, followed by make yes-GPU and recompile of lib/gpu and src/)
The code was checked out today, version 16 Aug 2013. For the debug output below, I turned on the flags described in the linked email thread. (CUDR_CPP = mpic++ -g -DUCL_SYNC_DEBUG and CUDR_OPTS = )
Additional information: I can run the same code on Fermi cards (C2050) when compiled with sm_21. I can also run USER-CUDA on the Kepler card using a June 2013 version of LAMMPS. The error code is generated from line 578 of lib/cuda/lal_device.cpp dev_program->load_string(device,flags.c_str()); But looking at source code from http://users.nccs.gov/~wb8/geryon/download.htm, the nvidia version of load_string() seems to just return success, so I am confused.
Raw output follows. Many thanks for any insights!
Input file in.gpu.melt.2.5 also tries restricting to a single gpu:
package gpu force/neigh 0 0 1
Run command and output:
140814lmp/examples/gpu(147): mpirun -machinefile mpihosts ./…/…/src/lmp_gpu -in in.gpu.melt.2.5 -sf gpu
LAMMPS (16 Aug 2013)