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More cleanup

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This commit is contained in:
Trung Nguyen
2021-09-17 23:24:23 -05:00
parent 78045d8f76
commit 5d801e985f
3 changed files with 82 additions and 68 deletions
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14
lib/gpu/lal_amoeba.cpp
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@ -182,13 +182,13 @@ int AmoebaT::udirect2b(const int eflag, const int vflag) {
this->time_pair.start();
// Build the short neighbor list if not done yet
if (!this->short_nbor_avail) {
if (!this->short_nbor_polar_avail) {
this->k_short_nbor.set_size(GX,BX);
this->k_short_nbor.run(&this->atom->x, &this->nbor->dev_nbor,
&this->_nbor_data->begin(),
&this->dev_short_nbor, &this->_off2_polar, &ainum,
&nbor_pitch, &this->_threads_per_atom);
this->short_nbor_avail = true;
this->short_nbor_polar_avail = true;
}
this->k_udirect2b.set_size(GX,BX);
@ -222,13 +222,13 @@ int AmoebaT::umutual2b(const int eflag, const int vflag) {
this->time_pair.start();
// Build the short neighbor list if not done yet
if (!this->short_nbor_avail) {
if (!this->short_nbor_polar_avail) {
this->k_short_nbor.set_size(GX,BX);
this->k_short_nbor.run(&this->atom->x, &this->nbor->dev_nbor,
&this->_nbor_data->begin(), &this->dev_short_nbor,
&this->_off2_polar, &ainum, &nbor_pitch,
&this->_threads_per_atom);
this->short_nbor_avail = true;
this->short_nbor_polar_avail = true;
}
this->k_umutual2b.set_size(GX,BX);
@ -261,13 +261,13 @@ int AmoebaT::polar_real(const int eflag, const int vflag) {
this->time_pair.start();
// Build the short neighbor list if not done yet
if (!this->short_nbor_avail) {
if (!this->short_nbor_polar_avail) {
this->k_short_nbor.set_size(GX,BX);
this->k_short_nbor.run(&this->atom->x, &this->nbor->dev_nbor,
&this->_nbor_data->begin(),
&this->dev_short_nbor, &this->_off2_polar, &ainum,
&nbor_pitch, &this->_threads_per_atom);
this->short_nbor_avail = true;
this->short_nbor_polar_avail = true;
}
this->k_polar.set_size(GX,BX);
@ -283,7 +283,7 @@ int AmoebaT::polar_real(const int eflag, const int vflag) {
// Signal that short nbor list is not avail for the next time step
// do it here because polar_real() is the last kernel in a time step at this point
this->short_nbor_avail = false;
this->short_nbor_polar_avail = false;
return GX;
}