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nbin_intel.h
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Wed, Jun 5, 06:56
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Fri, Jun 7, 06:56 (1 d, 23 h)
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rLAMMPS lammps
nbin_intel.h
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/* -*- 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.
*/
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