Lammps-GPU input file error for rhodo.cuda

Hi Team Lammps-users,

I am trying to run rhodopsin input file with gpu and getting error: Cuda error: Cuda_NeighborBuild: neighbor build kernel execution failed in file ‘neighbor.cu’ in line 252 : unspecified launch failure.

Can anyone help me here.

LAMMPS (2 Jul 2013)

Using LAMMPS_CUDA

USER-CUDA mode is enabled (…/lammps.cpp:394)

using 1 OpenMP thread(s) per MPI task

CUDA: Activate GPU

Using device 0: Tesla K20Xm

Scanning data file …

4 = max bonds/atom

8 = max angles/atom

18 = max dihedrals/atom

2 = max impropers/atom

Reading data file …

orthogonal box = (-27.5 -38.5 -36.3646) to (27.5 38.5 36.3615)

1 by 1 by 1 MPI processor grid

32000 atoms

32000 velocities

27723 bonds

40467 angles

56829 dihedrals

1034 impropers

Finding 1-2 1-3 1-4 neighbors …

4 = max # of 1-2 neighbors

12 = max # of 1-3 neighbors

24 = max # of 1-4 neighbors

26 = max # of special neighbors

Replicating atoms …

orthogonal box = (-27.5 -38.5 -36.3646) to (192.5 269.5 254.54)

1 by 1 by 1 MPI processor grid

2048000 atoms

1774272 bonds

2589888 angles

3637056 dihedrals

66176 impropers

Finding 1-2 1-3 1-4 neighbors …

4 = max # of 1-2 neighbors

12 = max # of 1-3 neighbors

24 = max # of 1-4 neighbors

26 = max # of special neighbors

Finding SHAKE clusters …

103488 = # of size 2 clusters

232512 = # of size 3 clusters

47808 = # of size 4 clusters

270912 = # of frozen angles

PPPMCuda initialization …

G vector = 0.24522

grid = 96 125 120

stencil order = 5

absolute RMS force accuracy = 0.0300582

relative force accuracy = 9.05193e-05

brick FFT buffer size/proc = 1641250 1440000 146250

WARNING: # CUDA: You asked for the usage of Coulomb Tables. This is not supported in CUDA Pair forces. Setting is ignored.

(…/pair_lj_charmm_coul_long_cuda.cpp:171)

CUDA: VerletCuda::setup: Allocate memory on device for maximum of 2048000 atoms…

CUDA: Using precision: Global: 4 X: 8 V: 8 F: 4 PPPM: 4

Setting up run …

CUDA: VerletCuda::setup: Upload data…

Cuda error: Cuda_NeighborBuild: neighbor build kernel execution failed in file ‘neighbor.cu’ in line 252 : unspecified launch failure.

Thanks & Regards,

Padma Pavani

Hi Team Lammps-users,

I am trying to run rhodopsin input file with gpu and getting error: Cuda
error: Cuda_NeighborBuild: neighbor build kernel execution failed in file
'neighbor.cu' in line 252 : unspecified launch failure.

Can anyone help me here.

impossible. how should i be able to add more RAM to a GPU via e-mail?

axel.