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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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4
lib/gpu/lal_born_coul_wolf_cs_ext.cpp
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@ -60,7 +60,7 @@ int borncwcs_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv,
if (world_me==0)
init_ok=BornCWCST.init(ntypes, cutsq, host_rhoinv, host_born1, host_born2,
host_born3, host_a, host_c, host_d, sigma,
offset, special_lj, inum, nall, 300,
offset, special_lj, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen, host_cut_ljsq,
host_cut_coulsq, host_special_coul, qqrd2e,
alf, e_shift, f_shift);
@ -81,7 +81,7 @@ int borncwcs_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv,
if (gpu_rank==i && world_me!=0)
init_ok=BornCWCST.init(ntypes, cutsq, host_rhoinv, host_born1, host_born2,
host_born3, host_a, host_c, host_d, sigma,
offset, special_lj, inum, nall, 300,
offset, special_lj, inum, nall, max_nbors,
maxspecial, cell_size, gpu_split, screen, host_cut_ljsq,
host_cut_coulsq, host_special_coul, qqrd2e,
alf, e_shift, f_shift);