ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixed bugs with zero local atoms (similar to what has been done to PPPM interp)

Browse Source
This commit is contained in:
Trung Nguyen
2021-09-16 17:27:44 -05:00
parent 98c1a0178c
commit c0b967054e
2 changed files with 23 additions and 11 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
lib/gpu/lal_pppm.cpp
View File

@ -342,13 +342,15 @@ void PPPMT::interp(const grdtyp qqrd2e_scale) {
vd_brick.update_device(true);
time_in.stop();
int ainum=this->ans->inum();
if (ainum==0)
return;
time_interp.start();
// Compute the block size and grid size to keep all cores busy
int BX=this->block_size();
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/BX));
int ainum=this->ans->inum();
k_interp.set_size(GX,BX);
k_interp.run(&atom->x, &atom->q, &ainum, &vd_brick, &d_rho_coeff,
&_npts_x, &_npts_yx, &_brick_x, &_brick_y, &_brick_z, &_delxinv,