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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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18
lib/gpu/lal_soft.cpp
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -33,10 +33,10 @@ SoftT::Soft() : BaseAtomic<numtyp,acctyp>(), _allocated(false) {
}
template <class numtyp, class acctyp>
SoftT::~Soft() {
SoftT::~Soft() {
clear();
}
template <class numtyp, class acctyp>
int SoftT::bytes_per_atom(const int max_nbors) const {
return this->bytes_per_atom_atomic(max_nbors);
@ -74,7 +74,7 @@ int SoftT::init(const int ntypes, double **host_cutsq,
coeff.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY);
this->atom->type_pack4(ntypes,lj_types,coeff,host_write,host_prefactor,
host_cut,host_cutsq);
host_cut,host_cutsq);
UCL_H_Vec<double> dview;
sp_lj.alloc(4,*(this->ucl_device),UCL_READ_ONLY);
@ -89,16 +89,16 @@ int SoftT::init(const int ntypes, double **host_cutsq,
template <class numtyp, class acctyp>
void SoftT::reinit(const int ntypes, double **host_cutsq,
double **host_prefactor, double **host_cut) {
// 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->atom->type_pack4(ntypes,_lj_types,coeff,host_write,host_prefactor,
host_cut,host_cutsq);
host_cut,host_cutsq);
}
template <class numtyp, class acctyp>
@ -134,7 +134,7 @@ void SoftT::loop(const bool _eflag, const bool _vflag) {
vflag=1;
else
vflag=0;
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
(BX/this->_threads_per_atom)));