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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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36
lib/gpu/pair_gpu_device.cpp
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@ -117,10 +117,11 @@ bool PairGPUDeviceT::init_device(MPI_Comm world, MPI_Comm replica,
}
template <class numtyp, class acctyp>
bool PairGPUDeviceT::init(const bool charge, const bool rot, const int nlocal,
bool PairGPUDeviceT::init(PairGPUAns<numtyp,acctyp> &ans, const bool charge,
const bool rot, const int nlocal,
const int host_nlocal, const int nall,
PairGPUNbor *nbor, const int maxspecial,
const bool gpu_nbor, const int gpu_host,
PairGPUNbor *nbor, const int maxspecial,
const bool gpu_nbor, const int gpu_host,
const int max_nbors, const double cell_size,
const bool pre_cut) {
if (!_device_init)
@ -133,12 +134,14 @@ bool PairGPUDeviceT::init(const bool charge, const bool rot, const int nlocal,
if (_init_count==0) {
// Initialize atom and nbor data
if (!atom.init(ef_nlocal,nall,charge,rot,*gpu,gpu_nbor,
gpu_nbor && maxspecial>0))
if (!atom.init(nall,charge,rot,*gpu,gpu_nbor,gpu_nbor && maxspecial>0))
return false;
} else
atom.add_fields(charge,rot);
if (!ans.init(ef_nlocal,charge,rot,*gpu))
return false;
if (!nbor->init(&_nbor_shared,ef_nlocal,host_nlocal,max_nbors,maxspecial,
*gpu,gpu_nbor,gpu_host,pre_cut))
return false;
@ -189,20 +192,21 @@ void PairGPUDeviceT::init_message(FILE *screen, const char *name,
}
template <class numtyp, class acctyp>
void PairGPUDeviceT::output_times(UCL_Timer &time_pair, PairGPUNbor &nbor,
const double avg_split,
void PairGPUDeviceT::output_times(UCL_Timer &time_pair,
PairGPUAns<numtyp,acctyp> &ans,
PairGPUNbor &nbor, const double avg_split,
const double max_bytes, FILE *screen) {
double single[5], times[5];
single[0]=atom.transfer_time();
single[0]=atom.transfer_time()+ans.transfer_time();
single[1]=nbor.time_nbor.total_seconds();
single[2]=nbor.time_kernel.total_seconds();
single[3]=time_pair.total_seconds();
single[4]=atom.cast_time();
single[4]=atom.cast_time()+ans.cast_time();
MPI_Reduce(single,times,5,MPI_DOUBLE,MPI_SUM,0,_comm_replica);
double my_max_bytes=max_bytes;
double my_max_bytes=max_bytes+atom.max_gpu_bytes();
double mpi_max_bytes;
MPI_Reduce(&my_max_bytes,&mpi_max_bytes,1,MPI_DOUBLE,MPI_MAX,0,_comm_replica);
double max_mb=mpi_max_bytes/(1024.0*1024.0);
@ -276,15 +280,5 @@ void lmp_clear_device() {
double lmp_gpu_forces(double **f, double **tor, double *eatom,
double **vatom, double *virial, double &ecoul) {
if (pair_gpu_device.init_count()) {
pair_gpu_device.stop_host_timer();
pair_gpu_device.gpu->sync();
double evdw=pair_gpu_device.atom.energy_virial(eatom,vatom,virial,ecoul);
pair_gpu_device.atom.get_answers(f,tor);
pair_gpu_device.atom.data_unavail();
return evdw;
}
return 0.0;
return pair_gpu_device.fix_gpu(f,tor,eatom,vatom,virial,ecoul);
}