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Hybrid working, but not fully tested.

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This commit is contained in:
W. Michael Brown
2011-01-27 17:52:08 -05:00
parent b9c7e2bb96
commit c1c9fd47de
25 changed files with 269 additions and 185 deletions
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12
lib/gpu/cmmc_long_gpu_memory.cpp
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@ -133,9 +133,9 @@ void CMML_GPU_MemoryT::loop(const bool _eflag, const bool _vflag) {
else
vflag=0;
int GX=static_cast<int>(ceil(static_cast<double>(this->atom->inum())/BX));
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/BX));
int ainum=this->atom->inum();
int ainum=this->ans->inum();
int anall=this->atom->nall();
int nbor_pitch=this->nbor->nbor_pitch();
this->time_pair.start();
@ -144,8 +144,8 @@ void CMML_GPU_MemoryT::loop(const bool _eflag, const bool _vflag) {
this->k_pair_fast.run(&this->atom->dev_x.begin(), &lj1.begin(),
&lj3.begin(), &sp_lj.begin(),
&this->nbor->dev_nbor.begin(),
&this->atom->dev_ans.begin(),
&this->atom->dev_engv.begin(), &eflag, &vflag,
&this->ans->dev_ans.begin(),
&this->ans->dev_engv.begin(), &eflag, &vflag,
&ainum, &anall, &nbor_pitch,
&this->atom->dev_q.begin(), &_cut_coulsq,
&_qqrd2e, &_g_ewald);
@ -153,8 +153,8 @@ void CMML_GPU_MemoryT::loop(const bool _eflag, const bool _vflag) {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->dev_x.begin(), &lj1.begin(), &lj3.begin(),
&_lj_types, &sp_lj.begin(), &this->nbor->dev_nbor.begin(),
&this->atom->dev_ans.begin(),
&this->atom->dev_engv.begin(), &eflag, &vflag, &ainum,
&this->ans->dev_ans.begin(),
&this->ans->dev_engv.begin(), &eflag, &vflag, &ainum,
&anall, &nbor_pitch, &this->atom->dev_q.begin(),
&_cut_coulsq, &_qqrd2e, &_g_ewald);
}