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fix_gpu.h
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Thu, Sep 5, 21:35
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Sat, Sep 7, 21:35 (1 d, 23 h)
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rLAMMPS lammps
fix_gpu.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
GPU
,
FixGPU
)
#else
#ifndef LMP_FIX_GPU_H
#define LMP_FIX_GPU_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixGPU
:
public
Fix
{
public:
FixGPU
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixGPU
();
int
setmask
();
void
init
();
void
setup
(
int
);
void
min_setup
(
int
);
void
post_force
(
int
);
void
min_post_force
(
int
);
void
post_force_respa
(
int
,
int
,
int
);
double
memory_usage
();
private:
int
_gpu_mode
;
int
_nlevels_respa
;
double
_particle_split
;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Cannot use fix GPU with USER-CUDA mode enabled
You cannot use both the GPU and USER-CUDA packages
together. Use one or the other.
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Cannot use force/neigh with triclinic box
This is a current limitation of the GPU implementation
in LAMMPS.
E: Cannot use force/hybrid_neigh with triclinic box
Self-explanatory.
E: No OpenMP support compiled in
An OpenMP flag is set, but LAMMPS was not built with
OpenMP support.
E: GPU package does not (yet) work with atom_style template
Self-explanatory.
E: Cannot use pair hybrid with GPU neighbor list builds
Neighbor list builds must be done on the CPU for this pair style.
E: GPU split param must be positive for hybrid pair styles
See the package gpu command.
E: Cannot use neigh_modify exclude with GPU neighbor builds
This is a current limitation of the GPU implementation
in LAMMPS.
*/
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