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Override any OpenCL fast math JIT settings for born/coul/wolf{/cs}/gpu to resolve numerical deviations seen with some OpenCL implementations.

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This commit is contained in:
Mike Brown
2021-08-28 17:01:58 -07:00
parent 4d1a6cbd73
commit 89556f0bcb
6 changed files with 29 additions and 9 deletions
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2
lib/gpu/lal_born_coul_wolf.cpp
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@ -57,7 +57,7 @@ int BornCoulWolfT::init(const int ntypes, double **host_cutsq, double **host_rho
const double alf, const double e_shift, const double f_shift) {
int success;
success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split,
_screen,born_coul_wolf,"k_born_coul_wolf");
_screen,born_coul_wolf,"k_born_coul_wolf",1);
if (success!=0)
return success;