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_gromacs_ext.cpp
View File

@ -58,7 +58,7 @@ int ljgrm_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
int init_ok=0;
if (world_me==0)
LJGRMMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
special_lj, inum, nall, 300, maxspecial, cell_size,
special_lj, inum, nall, max_nbors, maxspecial, cell_size,
gpu_split, screen, host_ljsw1, host_ljsw2, host_ljsw3,
host_ljsw4, host_ljsw5, cut_inner, cut_inner_sq);
@ -77,7 +77,7 @@ int ljgrm_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
}
if (gpu_rank==i && world_me!=0)
init_ok=LJGRMMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
special_lj, inum, nall, 300, maxspecial, cell_size,
special_lj, inum, nall, max_nbors, maxspecial, cell_size,
gpu_split, screen, host_ljsw1, host_ljsw2, host_ljsw3,
host_ljsw4, host_ljsw5, cut_inner, cut_inner_sq);