[lammps-users] CUDA-enabled gpu

Dear All,

I am trying to run a LAMMPS example on gpu, but there is a problem.

I have made lmp_serial with gpu. I also tried to changed in.melt (the standard example of LAMMPS) as below:

pair_style lj/cut/gpu one/node 1 2.5

But when I start to run I get following error:

$…/…/src/lmp_serial <in.melt
LAMMPS (20 Feb 2010)
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
1 by 1 by 1 processor grid
Created 4000 atoms
ERROR on proc 0: At least one process could not allocate a CUDA-enabled gpu

Is there any mistake in the procedure?

Kind regards,
Mehdi

Dear All,

I am trying to run a LAMMPS example on gpu, but there is a problem.

I have made lmp_serial with gpu. I also tried to changed in.melt (the
standard example of LAMMPS) as below:

pair_style lj/cut/gpu one/node 1 2.5

But when I start to run I get following error:

$../../src/lmp_serial <in.melt
LAMMPS (20 Feb 2010)
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
1 by 1 by 1 processor grid
Created 4000 atoms
ERROR on proc 0: At least one process could not allocate a CUDA-enabled gpu

Is there any mistake in the procedure?

what is the "ID" of your GPU? probably not 1.
have you run the nvc_get_devices program in lib/gpu?

cheers,
   axel.