Similar bug fixes for tersoff/mod/gpu and tersoff/zbl/gpu; some cleanup for sw/gpu

2020-07-04 19:08:55 -05:00
parent 9f733fb305
commit adacc7f2a4
5 changed files with 34 additions and 81 deletions
--- a/lib/gpu/lal_tersoff_zbl.cpp
+++ b/lib/gpu/lal_tersoff_zbl.cpp
@ -275,10 +275,9 @@ void TersoffZT::loop(const bool _eflag, const bool _vflag, const int evatom) {
                               (BX/this->_threads_per_atom)));

  this->k_short_nbor.set_size(GX,BX);
-  this->k_short_nbor.run(&this->atom->x, &cutsq, &map,
-                 &elem2param, &_nelements, &_nparams,
+  this->k_short_nbor.run(&this->atom->x, &elem2param, &_nelements, &_nparams,
                 &this->nbor->dev_nbor, &this->_nbor_data->begin(),
-                 &this->dev_short_nbor, &ainum,
+                 &this->dev_short_nbor, &_cutshortsq, &ainum,
                 &nbor_pitch, &this->_threads_per_atom);

  // re-allocate zetaij if necessary