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Fixed bugs in HippoT::compute_dispersion_real and compute_multipole_real to ensure that answers only get copied back from device in the last kernel activated.

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This commit is contained in:
Trung Nguyen
2021-09-26 00:13:40 -05:00
parent f8bc091cb8
commit edbed9c9c9
5 changed files with 11 additions and 16 deletions
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11
lib/gpu/lal_hippo.cpp
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@ -72,7 +72,6 @@ int HippoT::init(const int ntypes, const int max_amtype, const int max_amclass,
// specific to HIPPO
k_dispersion.set_function(*(this->pair_program),"k_hippo_dispersion");
_pval.alloc(this->_max_tep_size,*(this->ucl_device),UCL_READ_ONLY,UCL_READ_ONLY);
// If atom type constants fit in shared memory use fast kernel
int lj_types=ntypes;
@ -312,8 +311,8 @@ int** HippoT::compute_dispersion_real(const int ago, const int inum_full,
// only copy them back if this is the last kernel
// otherwise, commenting out these two lines to leave the answers
// (forces, energies and virial) on the device until the last kernel
this->ans->copy_answers(eflag_in,vflag_in,eatom,vatom,red_blocks);
this->device->add_ans_object(this->ans);
//this->ans->copy_answers(eflag_in,vflag_in,eatom,vatom,red_blocks);
//this->device->add_ans_object(this->ans);
this->hd_balancer.stop_timer();
@ -430,9 +429,9 @@ int** HippoT::compute_multipole_real(const int ago, const int inum_full,
const int red_blocks=multipole_real(eflag,vflag);
// leave the answers (forces, energies and virial) on the device,
// only copy them back in the last kernel (polar_real)
//ans->copy_answers(eflag_in,vflag_in,eatom,vatom,red_blocks);
//device->add_ans_object(ans);
// only copy them back in the last kernel (this one, or polar_real once done)
this->ans->copy_answers(eflag_in,vflag_in,eatom,vatom,red_blocks);
this->device->add_ans_object(this->ans);
this->hd_balancer.stop_timer();