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Working re_squared.

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This commit is contained in:
W. Michael Brown
2011-05-10 16:38:17 -04:00
parent cc91f53265
commit 0ecefcd1ba
14 changed files with 468 additions and 98 deletions
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38
lib/gpu/re_squared.cpp
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@ -15,7 +15,6 @@
#ifdef USE_OPENCL
#include "re_squared_cl.h"
#include "ellipsoid_nbor_cl.h"
#else
#include "re_squared_ptx.h"
#endif
@ -43,20 +42,18 @@ int RESquaredT::bytes_per_atom(const int max_nbors) const {
}
template <class numtyp, class acctyp>
int RESquaredT::init(const int ntypes, const double gamma,
const double upsilon, const double mu,
double **host_shape, double **host_well,
double **host_cutsq, double **host_sigma,
double **host_epsilon, double *host_lshape,
int **h_form, double **host_lj1, double **host_lj2,
double **host_lj3, double **host_lj4,
double **host_offset, const double *host_special_lj,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *_screen) {
int RESquaredT::init(const int ntypes, double **host_shape, double **host_well,
double **host_cutsq, double **host_sigma,
double **host_epsilon, double *host_lshape, int **h_form,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset,
const double *host_special_lj, const int nlocal,
const int nall, const int max_nbors, const int maxspecial,
const double cell_size, const double gpu_split,
FILE *_screen) {
int success;
success=this->init_base(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split,
_screen,ntypes,h_form,ellipsoid_nbor,
_screen,ntypes,h_form,
re_squared,re_squared_lj);
if (success!=0)
return success;
@ -99,15 +96,12 @@ int RESquaredT::init(const int ntypes, const double gamma,
// Allocate, cast and asynchronous memcpy of constant data
// Copy data for bonded interactions
gamma_upsilon_mu.alloc(7,*(this->ucl_device),UCL_READ_ONLY);
host_write[0]=static_cast<numtyp>(gamma);
host_write[1]=static_cast<numtyp>(upsilon);
host_write[2]=static_cast<numtyp>(mu);
host_write[3]=static_cast<numtyp>(host_special_lj[0]);
host_write[4]=static_cast<numtyp>(host_special_lj[1]);
host_write[5]=static_cast<numtyp>(host_special_lj[2]);
host_write[6]=static_cast<numtyp>(host_special_lj[3]);
ucl_copy(gamma_upsilon_mu,host_write,7,false);
gamma_upsilon_mu.alloc(4,*(this->ucl_device),UCL_READ_ONLY);
host_write[0]=static_cast<numtyp>(host_special_lj[0]);
host_write[1]=static_cast<numtyp>(host_special_lj[1]);
host_write[2]=static_cast<numtyp>(host_special_lj[2]);
host_write[3]=static_cast<numtyp>(host_special_lj[3]);
ucl_copy(gamma_upsilon_mu,host_write,4,false);
lshape.alloc(ntypes,*(this->ucl_device),UCL_READ_ONLY);
UCL_H_Vec<double> d_view;