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/***************************************************************************
coul_long_cs.cpp
-------------------
Trung Nguyen (Northwestern)
Class for acceleration of the coul/long pair style.
__________________________________________________________________________
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin : June 2018
email : ndactrung@gmail.com
***************************************************************************/
#if defined(USE_OPENCL)
#include "coul_long_cs_cl.h"
#elif defined(USE_CUDART)
const char *coul_long_cs=0;
#else
#include "coul_long_cs_cubin.h"
#endif
#include "lal_coul_long_cs.h"
#include <cassert>
namespace LAMMPS_AL {
#define CoulLongCST CoulLongCS<numtyp, acctyp>
extern Device<PRECISION,ACC_PRECISION> pair_gpu_device;
template <class numtyp, class acctyp>
int CoulLongCST::init(const int ntypes, double **host_scale,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *_screen,
const double host_cut_coulsq, double *host_special_coul,
const double qqrd2e, const double g_ewald) {
int success;
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,
gpu_split,_screen,coul_long_cs,"k_coul_long_cs");
if (success!=0)
return success;
int lj_types=ntypes;
this->shared_types=false;
int max_shared_types=this->device->max_shared_types();
if (lj_types<=max_shared_types && this->_block_size>=max_shared_types) {
lj_types=max_shared_types;
this->shared_types=true;
}
this->_lj_types=lj_types;
// Allocate a host write buffer for data initialization
UCL_H_Vec<numtyp> host_write(lj_types*lj_types*32,*(this->ucl_device),
UCL_WRITE_ONLY);
for (int i=0; i<lj_types*lj_types; i++)
host_write[i]=0.0;
this->scale.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack1(ntypes,lj_types,this->scale,host_write,host_scale);
this->sp_cl.alloc(4,*(this->ucl_device),UCL_READ_ONLY);
for (int i=0; i<4; i++) {
host_write[i]=host_special_coul[i];
}
ucl_copy(this->sp_cl,host_write,4,false);
this->_cut_coulsq=host_cut_coulsq;
this->_qqrd2e=qqrd2e;
this->_g_ewald=g_ewald;
this->_allocated=true;
this->_max_bytes=this->scale.row_bytes()+this->sp_cl.row_bytes();
return 0;
}
template class CoulLongCS<PRECISION,ACC_PRECISION>;
}
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