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Updating all code to use full neighbor lists for all host forces

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computations. Changed the load balancing scheme. Added timing estimates
for GPU and driver overhead, cpu idle time.
This commit is contained in:
W. Michael Brown
2011-03-28 13:18:39 -04:00
parent c831733b31
commit 71ff7b8096
28 changed files with 168 additions and 161 deletions
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7
lib/gpu/charge_gpu_memory.cpp
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@ -212,12 +212,13 @@ void ChargeGPUMemoryT::compute(const int f_ago, const int inum_full,
// Reneighbor on GPU if necessary and then compute forces, virials, energies
// ---------------------------------------------------------------------------
template <class numtyp, class acctyp>
int * ChargeGPUMemoryT::compute(const int ago, const int inum_full,
int** ChargeGPUMemoryT::compute(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
double *boxlo, double *boxhi, int *tag,
int **nspecial, int **special, const bool eflag,
const bool vflag, const bool eatom,
const bool vatom, int &host_start,
int **ilist, int **jnum,
const double cpu_time, bool &success,
double *host_q) {
acc_timers();
@ -249,13 +250,15 @@ int * ChargeGPUMemoryT::compute(const int ago, const int inum_full,
atom->add_x_data(host_x,host_type);
}
atom->add_q_data();
*ilist=nbor->host_ilist.begin();
*jnum=nbor->host_acc.begin();
loop(eflag,vflag);
ans->copy_answers(eflag,vflag,eatom,vatom);
device->add_ans_object(ans);
hd_balancer.stop_timer();
return nbor->host_nbor.begin();
return nbor->host_jlist.begin()-host_start;
}
template <class numtyp, class acctyp>