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lammps/src/USER-INTEL/pppm_disp_intel.h
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pppm_disp_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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: William McDoniel (RWTH Aachen University)
------------------------------------------------------------------------- */
#ifdef KSPACE_CLASS
KSpaceStyle(pppm/disp/intel,PPPMDispIntel)
#else
#ifndef LMP_PPPMINTEL_DISP_H
#define LMP_PPPMINTEL_DISP_H
#include "pppm_disp.h"
#include "fix_intel.h"
namespace LAMMPS_NS {
class PPPMDispIntel : public PPPMDisp {
public:
PPPMDispIntel(class LAMMPS *, int, char **);
virtual ~PPPMDispIntel();
virtual void init();
virtual void compute(int, int);
#ifdef _LMP_INTEL_OFFLOAD
int use_base();
#endif
protected:
FixIntel *fix;
int _use_lrt;
FFT_SCALAR **perthread_density;
FFT_SCALAR *particle_ekx;
FFT_SCALAR *particle_eky;
FFT_SCALAR *particle_ekz;
FFT_SCALAR *particle_ekx0;
FFT_SCALAR *particle_eky0;
FFT_SCALAR *particle_ekz0;
FFT_SCALAR *particle_ekx1;
FFT_SCALAR *particle_eky1;
FFT_SCALAR *particle_ekz1;
FFT_SCALAR *particle_ekx2;
FFT_SCALAR *particle_eky2;
FFT_SCALAR *particle_ekz2;
FFT_SCALAR *particle_ekx3;
FFT_SCALAR *particle_eky3;
FFT_SCALAR *particle_ekz3;
FFT_SCALAR *particle_ekx4;
FFT_SCALAR *particle_eky4;
FFT_SCALAR *particle_ekz4;
FFT_SCALAR *particle_ekx5;
FFT_SCALAR *particle_eky5;
FFT_SCALAR *particle_ekz5;
FFT_SCALAR *particle_ekx6;
FFT_SCALAR *particle_eky6;
FFT_SCALAR *particle_ekz6;
int _use_table;
int rho_points;
FFT_SCALAR **rho_lookup;
FFT_SCALAR **rho6_lookup;
FFT_SCALAR **drho_lookup;
FFT_SCALAR **drho6_lookup;
FFT_SCALAR half_rho_scale, half_rho_scale_plus;
int _use_packing;
#ifdef _LMP_INTEL_OFFLOAD
int _use_base;
#endif
template<class flt_t, class acc_t>
void particle_map(double, double, double,
double, int **, int, int,
int, int, int,
int, int, int,
IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t, int use_table>
void make_rho_c(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void make_rho_c(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
make_rho_c<flt_t,acc_t,1>(buffers);
} else {
make_rho_c<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void make_rho_g(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void make_rho_g(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
make_rho_g<flt_t,acc_t,1>(buffers);
} else {
make_rho_g<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void make_rho_a(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void make_rho_a(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
make_rho_a<flt_t,acc_t,1>(buffers);
} else {
make_rho_a<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void make_rho_none(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void make_rho_none(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
make_rho_none<flt_t,acc_t,1>(buffers);
} else {
make_rho_none<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_c_ik(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_c_ik(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_c_ik<flt_t,acc_t,1>(buffers);
} else {
fieldforce_c_ik<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_c_ad(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_c_ad(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_c_ad<flt_t,acc_t,1>(buffers);
} else {
fieldforce_c_ad<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_g_ik(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_g_ik(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_g_ik<flt_t,acc_t,1>(buffers);
} else {
fieldforce_g_ik<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_g_ad(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_g_ad(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_g_ad<flt_t,acc_t,1>(buffers);
} else {
fieldforce_g_ad<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_a_ik(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_a_ik(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_a_ik<flt_t,acc_t,1>(buffers);
} else {
fieldforce_a_ik<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_a_ad(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_a_ad(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_a_ad<flt_t,acc_t,1>(buffers);
} else {
fieldforce_a_ad<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_none_ik(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_none_ik(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_none_ik<flt_t,acc_t,1>(buffers);
} else {
fieldforce_none_ik<flt_t,acc_t,0>(buffers);
}
}
template<class flt_t, class acc_t, int use_table>
void fieldforce_none_ad(IntelBuffers<flt_t,acc_t> *buffers);
template<class flt_t, class acc_t>
void fieldforce_none_ad(IntelBuffers<flt_t,acc_t> *buffers) {
if (_use_table == 1) {
fieldforce_none_ad<flt_t,acc_t,1>(buffers);
} else {
fieldforce_none_ad<flt_t,acc_t,0>(buffers);
}
}
void precompute_rho();
};
}
#endif
#endif
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