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Similar bug fixes to vashishta/gpu

This commit is contained in:
Trung Nguyen 2020-07-04 23:52:32 -05:00
parent adacc7f2a4
commit c488e6208d
2 changed files with 4 additions and 11 deletions
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5
lib/gpu/lal_vashishta.cpp
View File

@ -233,10 +233,9 @@ void VashishtaT::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, &param4, &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);
// this->_nbor_data == nbor->dev_packed for gpu_nbor == 0 and tpa > 1

10
lib/gpu/lal_vashishta.cu
View File

@ -137,13 +137,12 @@ _texture( param5_tex,int4);
#endif
__kernel void k_vashishta_short_nbor(const __global numtyp4 *restrict x_,
const __global numtyp4 *restrict param4,
const __global int *restrict map,
const __global int *restrict elem2param,
const int nelements, const int nparams,
const __global int * dev_nbor,
const __global int * dev_packed,
__global int * dev_short_nbor,
const double _cutshortsq,
const int inum, const int nbor_pitch,
const int t_per_atom) {
__local int n_stride;
@ -157,8 +156,6 @@ __kernel void k_vashishta_short_nbor(const __global numtyp4 *restrict x_,
n_stride,nbor_end,nbor);
numtyp4 ix; fetch4(ix,i,pos_tex); //x_[i];
int itype=ix.w;
itype=map[itype];
int ncount = 0;
int m = nbor;
@ -172,9 +169,6 @@ __kernel void k_vashishta_short_nbor(const __global numtyp4 *restrict x_,
j &= NEIGHMASK;
numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
int jtype=jx.w;
jtype=map[jtype];
int ijparam=elem2param[itype*nelements*nelements+jtype*nelements+jtype];
// Compute r12
numtyp delx = ix.x-jx.x;
@ -182,7 +176,7 @@ __kernel void k_vashishta_short_nbor(const __global numtyp4 *restrict x_,
numtyp delz = ix.z-jx.z;
numtyp rsq = delx*delx+dely*dely+delz*delz;
if (rsq<param4[ijparam].x) { //param4[ijparam].x = r0sq; //param4[ijparam].z=cutsq
if (rsq<_cutshortsq) {
dev_short_nbor[nbor_short] = nj;
nbor_short += n_stride;
ncount++;