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

Feb2021 GPU Package Update - GPU Package Files

Browse Source
This commit is contained in:
Michael Brown
2021-02-15 08:20:50 -08:00
parent 16004e8f45
commit e7e2d2323b
345 changed files with 13424 additions and 7708 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
lib/gpu/lal_lj_cubic_ext.cpp
View File

@ -58,7 +58,7 @@ int ljcb_gpu_init(const int ntypes, double **cutsq, double **cut_inner_sq,
if (world_me==0)
init_ok=LJCubicLMF.init(ntypes, cutsq, cut_inner_sq, cut_inner, sigma,
epsilon, host_lj1, host_lj2, host_lj3, host_lj4,
special_lj, inum, nall, 300, maxspecial,
special_lj, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen);
LJCubicLMF.device->world_barrier();
@ -77,7 +77,7 @@ int ljcb_gpu_init(const int ntypes, double **cutsq, double **cut_inner_sq,
if (gpu_rank==i && world_me!=0)
init_ok=LJCubicLMF.init(ntypes, cutsq, cut_inner_sq, cut_inner, sigma,
epsilon, host_lj1, host_lj2, host_lj3, host_lj4,
special_lj, inum, nall, 300, maxspecial,
special_lj, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen);
LJCubicLMF.device->gpu_barrier();