ERROR: Cannot use newton pair with zbl/gpu pair style (../pair_zbl_gpu.cpp:131)

Dear All:
I have built my lammps(version lammps-28Mar2016)with GPU package and USER-CUDA package.And when I run in.lj script ,there is no error.But when I run my script,it shows error.

[email protected]…6176…:~/md/sputter2$ mpirun -np 8 lmp -sf gpu -pk gpu 1 -in in.sputter
LAMMPS (28 Mar20 2016)

Lattice spacing in x,y,z = 5.4305 5.4305 5.4305

Created orthogonal box = (0 0 0) to (162.915 162.915 162.915)

2 by 2 by 2 MPI processor grid

Created 145800 atoms

145800 atoms in group ysubstrate

122940 atoms in group ymobile

22860 atoms in group yfixed

81186 atoms in group ynewton

41754 atoms in group ytemctr

Reading potential file SiC.tersoff.zbl with DATE: 2009-04-15

WARNING: Resetting reneighboring criteria during minimization (…/min.cpp:168)

ERROR: Cannot use newton pair with zbl/gpu pair style (…/pair_zbl_gpu.cpp:131)

Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.

Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.

Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.

Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.

Dear All:
         I have built my lammps(version lammps-28Mar2016)with GPU package
and USER-CUDA package.And when I run in.lj script ,there is no error.But
when I run my script,it shows error.
[email protected]:~/md/sputter2$ mpirun -np 8 lmp -sf gpu -pk gpu 1 -in
in.sputter
LAMMPS (28 Mar20 2016)

Lattice spacing in x,y,z = 5.4305 5.4305 5.4305

Created orthogonal box = (0 0 0) to (162.915 162.915 162.915)

2 by 2 by 2 MPI processor grid

Created 145800 atoms

145800 atoms in group ysubstrate

122940 atoms in group ymobile

22860 atoms in group yfixed

81186 atoms in group ynewton

41754 atoms in group ytemctr

Reading potential file SiC.tersoff.zbl with DATE: 2009-04-15

WARNING: Resetting reneighboring criteria during minimization
(../min.cpp:168)

ERROR: Cannot use newton pair with zbl/gpu pair style
(../pair_zbl_gpu.cpp:131)

Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.

Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.

Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.

Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
-------------------------------------------------------

Primary job terminated normally, but 1 process returned

a non-zero exit code.. Per user-direction, the job has been aborted.

----------------------------------------------------
The pair style in my script is set ;
pair_style hybrid tersoff/zbl zbl 3.0 4.0
pair_coeff * * tersoff/zbl SiC.tersoff.zbl Si NULL
pair_coeff 1 2 zbl 14 31
pair_coeff 2 2 zbl 31 31
And i also set newton on
Now I guess there may be some problems with zbl potential and gpu
package.How could I solve this error?Best regards.

the error message already tells you what to do:

you *must NOT* use "newton on". instead enabling the gpu package
changes the default from "newton on" to "newton off" as all gpu
packages *require* the newton flag for pair interactions to be turned
off.

axel.

Thanks very much.
I follow your advice and modify my script.I do not set the newton on this time.But I get an another error.

[email protected]…6176…:~/md/sputter2$ mpirun -np 8 lmp -sf gpu -pk gpu 1 -in in.sputter
LAMMPS (28 Mar20 2016)
Lattice spacing in x,y,z = 5.4305 5.4305 5.4305
Created orthogonal box = (0 0 0) to (162.915 162.915 162.915)
2 by 2 by 2 MPI processor grid
Created 145800 atoms
145800 atoms in group ysubstrate
122940 atoms in group ymobile
22860 atoms in group yfixed
81186 atoms in group ynewton
41754 atoms in group ytemctr
Reading potential file SiC.tersoff.zbl with DATE: 2009-04-15
WARNING: Resetting reneighboring criteria during minimization (…/min.cpp:168)
ERROR: Pair style Tersoff requires newton pair on (…/pair_tersoff.cpp:348)
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.
Cuda driver error 4 in call at file ‘geryon/nvd_device.h’ in line 124.

Thanks very much.
I follow your advice and modify my script.I do not set the newton on this
time.But I get an another error.
[email protected]:~/md/sputter2$ mpirun -np 8 lmp -sf gpu -pk gpu 1 -in
in.sputter
LAMMPS (28 Mar20 2016)
Lattice spacing in x,y,z = 5.4305 5.4305 5.4305
Created orthogonal box = (0 0 0) to (162.915 162.915 162.915)
  2 by 2 by 2 MPI processor grid
Created 145800 atoms
145800 atoms in group ysubstrate
122940 atoms in group ymobile
22860 atoms in group yfixed
81186 atoms in group ynewton
41754 atoms in group ytemctr
Reading potential file SiC.tersoff.zbl with DATE: 2009-04-15
WARNING: Resetting reneighboring criteria during minimization
(../min.cpp:168)
ERROR: Pair style Tersoff requires newton pair on (../pair_tersoff.cpp:348)
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus
causing
the job to be terminated. The first process to do so was:

  Process name: [[53086,1],2]
  Exit code: 1
--------------------------------------------------------------------------
This time,it seems that i should set the command newton on .I am very
confused.And I do not figure out the problem.Best regards.

your version of LAMMPS doesn't have pair style tersoff/zbl/gpu.
the CPU version indeed requires newton on.

axel.