Skip to content

Commit 6707d50

Browse files
committed
fix nspin=4 error
1 parent 39c29d3 commit 6707d50

File tree

1 file changed

+3
-3
lines changed

1 file changed

+3
-3
lines changed

source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -47,7 +47,7 @@ void gint_vl_gpu(hamilt::HContainer<double>* hRGint,
4747
checkCuda(cudaStreamCreate(&streams[i]));
4848
}
4949

50-
Cuda_Mem_Wrapper<double> grid_vlocal_g(hRGint->get_nnr(), 1, false);
50+
Cuda_Mem_Wrapper<double> grid_vlocal_g(gridt.nnrg, 1, false);
5151
grid_vlocal_g.memset_device_sync();
5252

5353
Cuda_Mem_Wrapper<double> dr_part(max_atom_per_z * 3, num_streams, true);
@@ -189,15 +189,15 @@ void gint_vl_gpu(hamilt::HContainer<double>* hRGint,
189189
checkCuda(cudaMemcpy(
190190
hRGint->get_wrapper(),
191191
grid_vlocal_g.get_device_pointer(),
192-
hRGint->get_nnr() * sizeof(double),
192+
gridt.nnrg * sizeof(double),
193193
cudaMemcpyDeviceToHost));
194194
}
195195
else
196196
{
197197
checkCuda(cudaMemcpy(
198198
pvpR,
199199
grid_vlocal_g.get_device_pointer(),
200-
hRGint->get_nnr() * sizeof(double),
200+
gridt.nnrg * sizeof(double),
201201
cudaMemcpyDeviceToHost));
202202
}
203203
for (int i = 0; i < num_streams; i++)

0 commit comments

Comments
 (0)