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verlet_lrt_intel.h
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Mon, Sep 9, 20:08
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rLAMMPS lammps
verlet_lrt_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 INTEGRATE_CLASS
IntegrateStyle
(
verlet
/
lrt
/
intel
,
VerletLRTIntel
)
#else
#ifndef LMP_VERLET_LRT_INTEL_H
#define LMP_VERLET_LRT_INTEL_H
#include "verlet.h"
#include "pppm_intel.h"
#ifndef LMP_INTEL_USELRT
#define LMP_INTEL_NOLRT
#else
#ifdef LMP_INTEL_LRT11
#define _LMP_INTEL_LRT_11
#include <thread>
#else
#define _LMP_INTEL_LRT_PTHREAD
#include <pthread.h>
#endif
#endif
namespace
LAMMPS_NS
{
class
VerletLRTIntel
:
public
Verlet
{
public:
VerletLRTIntel
(
class
LAMMPS
*
,
int
,
char
**
);
virtual
~
VerletLRTIntel
();
virtual
void
init
();
virtual
void
setup
(
int
flag
=
1
);
virtual
void
run
(
int
);
protected:
PPPMIntel
*
_intel_kspace
;
#if defined(_LMP_INTEL_LRT_PTHREAD)
static
void
*
k_launch_loop
(
void
*
context
);
pthread_t
_kspace_thread
;
pthread_attr_t
_kspace_attr
;
pthread_mutex_t
_kmutex
;
pthread_cond_t
_kcond
;
int
_kspace_ready
,
_kspace_done
,
_krun_n
;
#endif
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: LRT otion for Intel package disabled at compile time
This option cannot be used with the Intel package because LAMMPS was not built
with support for it.
W: No fixes defined, atoms won't move
If you are not using a fix like nve, nvt, npt then atom velocities and
coordinates will not be updated during timestepping.
*/
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