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Bugfix from Trung for crashes in pppm/gpu without local atoms

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Axel Kohlmeyer
2021-09-15 17:23:12 -04:00
parent 36b3ee32a4
commit 70b09a809d
1 changed files with 4 additions and 2 deletions
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6
lib/gpu/lal_pppm.cpp
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@ -342,13 +342,15 @@ void PPPMT::interp(const grdtyp qqrd2e_scale) {
vd_brick.update_device(true); vd_brick.update_device(true);
time_in.stop(); time_in.stop();
int ainum=this->ans->inum();
if (ainum==0)
return;
time_interp.start(); time_interp.start();
// Compute the block size and grid size to keep all cores busy // Compute the block size and grid size to keep all cores busy
int BX=this->block_size(); int BX=this->block_size();
int GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/BX)); 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.set_size(GX,BX);
k_interp.run(&atom->x, &atom->q, &ainum, &vd_brick, &d_rho_coeff, k_interp.run(&atom->x, &atom->q, &ainum, &vd_brick, &d_rho_coeff,
&_npts_x, &_npts_yx, &_brick_x, &_brick_y, &_brick_z, &_delxinv, &_npts_x, &_npts_yx, &_brick_x, &_brick_y, &_brick_z, &_delxinv,