1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
/* -*- c++ -*- ----------------------------------------------------------
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 NBIN_CLASS
NBinStyle(intel,
NBinIntel,
NB_INTEL)
#else
#ifndef LMP_NBIN_INTEL_H
#define LMP_NBIN_INTEL_H
#include "nbin_standard.h"
#include "fix_intel.h"
#include "memory.h"
namespace LAMMPS_NS {
class NBinIntel : public NBinStandard {
public:
NBinIntel(class LAMMPS *);
~NBinIntel();
void bin_atoms_setup(int);
void bin_atoms();
int * get_binpacked() { return _binpacked; }
private:
FixIntel *_fix;
int *_atombin, *_binpacked;
int _precision_mode;
bigint memory_usage();
template <class flt_t, class acc_t>
void bin_atoms(IntelBuffers<flt_t,acc_t> *);
#ifdef _LMP_INTEL_OFFLOAD
int _cop, _offload_alloc;
#endif
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: The 'package intel' command is required for /intel styles
Self-explanatory.
E: Intel package expects no atoms within cutoff of {1e15,1e15,1e15}.
The Intel package can make use of dummy atoms for padding with a large position
that should not be within the cutoff.
*/