88 lines
2.1 KiB
C++
88 lines
2.1 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef PAIR_CLASS
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PairStyle(eam/fs/gpu,PairEAMFSGPU)
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#else
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#ifndef LMP_PAIR_EAM_FS_GPU_H
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#define LMP_PAIR_EAM_FS_GPU_H
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#include "pair_eam.h"
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namespace LAMMPS_NS {
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class PairEAMFSGPU : public PairEAM {
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public:
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PairEAMFSGPU(class LAMMPS *);
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virtual ~PairEAMFSGPU();
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void coeff(int, char **);
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void compute(int, int);
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void init_style();
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double single(int, int, int, int, double, double, double, double &);
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double memory_usage();
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void *extract(const char *, int &) { return NULL; }
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int pack_forward_comm(int, int *, double *, int, int *);
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void unpack_forward_comm(int, int, double *);
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enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH };
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protected:
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void read_file(char *);
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void file2array();
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int gpu_mode;
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double cpu_time;
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void *fp_pinned;
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bool fp_single;
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Insufficient memory on accelerator
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There is insufficient memory on one of the devices specified for the gpu
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package
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E: Cannot use newton pair with eam/fs/gpu pair style
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Self-explanatory.
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: No matching element in EAM potential file
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The EAM potential file does not contain elements that match the
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requested elements.
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E: Cannot open EAM potential file %s
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The specified EAM potential file cannot be opened. Check that the
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path and name are correct.
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E: Incorrect element names in EAM potential file
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The element names in the EAM file do not match those requested.
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*/
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