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Fixing bugs in slow (non-shared memory) variant of lj/charmm/coul/charmm/gpu

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This commit is contained in:
Michael Brown
2021-04-18 09:35:54 -07:00
parent f1680b0fdd
commit bb7931c989
2 changed files with 9 additions and 14 deletions
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2
lib/gpu/lal_charmm.cpp
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@ -150,7 +150,7 @@ int CHARMMT::loop(const int eflag, const int vflag) {
&_cut_coul_innersq, &this->_threads_per_atom);
} else {
this->k_pair.set_size(GX,BX);
this->k_pair.run(&this->atom->x, &ljd, &sp_lj,
this->k_pair.run(&this->atom->x, &lj1, &_lj_types, &sp_lj,
&this->nbor->dev_nbor, this->_nbor_data,
&this->ans->force, &this->ans->engv, &eflag,
&vflag, &ainum, &nbor_pitch, &this->atom->q,