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Feb2021 GPU Package Update - GPU Package Files

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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
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lib/gpu/lal_lj_coul_msm_ext.cpp
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@ -59,7 +59,7 @@ int ljcm_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
if (world_me==0)
init_ok=LJCMLMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
host_gcons, host_dgcons, offset,
special_lj, inum, nall, 300, maxspecial,
special_lj, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen, host_cut_ljsq,
host_cut_coulsq, host_special_coul, order, qqrd2e);
@ -79,7 +79,7 @@ int ljcm_gpu_init(const int ntypes, double **cutsq, double **host_lj1,
if (gpu_rank==i && world_me!=0)
init_ok=LJCMLMF.init(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4,
host_gcons, host_dgcons, offset,
special_lj, inum, nall, 300, maxspecial,
special_lj, inum, nall, max_nbors, maxspecial,
cell_size, gpu_split, screen, host_cut_ljsq,
host_cut_coulsq, host_special_coul, order, qqrd2e);