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lammps/src/USER-INTEL/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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