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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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16
lib/gpu/lal_base_charge.cpp
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@ -56,7 +56,7 @@ int BaseChargeT::init_atomic(const int nlocal, const int nall,
const int max_nbors, const int maxspecial,
const double cell_size, const double gpu_split,
FILE *_screen, const void *pair_program,
const char *k_name) {
const char *k_name, const int disable_fast_math) {
screen=_screen;
int gpu_nbor=0;
@ -83,7 +83,7 @@ int BaseChargeT::init_atomic(const int nlocal, const int nall,
_block_size=device->pair_block_size();
_block_bio_size=device->block_bio_pair();
compile_kernels(*ucl_device,pair_program,k_name);
compile_kernels(*ucl_device,pair_program,k_name,disable_fast_math);
if (_threads_per_atom>1 && gpu_nbor==0) {
nbor->packing(true);
@ -321,14 +321,20 @@ double BaseChargeT::host_memory_usage_atomic() const {
template <class numtyp, class acctyp>
void BaseChargeT::compile_kernels(UCL_Device &dev, const void *pair_str,
const char *kname) {
const char *kname,
const int disable_fast_math) {
if (_compiled)
return;
std::string s_fast=std::string(kname)+"_fast";
if (pair_program) delete pair_program;
pair_program=new UCL_Program(dev);
std::string oclstring = device->compile_string()+" -DEVFLAG=1";
std::string device_compile_string;
if (disable_fast_math)
device_compile_string = device->compile_string_nofast();
else
device_compile_string = device->compile_string();
std::string oclstring = device_compile_string+" -DEVFLAG=1";
pair_program->load_string(pair_str,oclstring.c_str(),nullptr,screen);
k_pair_fast.set_function(*pair_program,s_fast.c_str());
k_pair.set_function(*pair_program,kname);
@ -336,7 +342,7 @@ void BaseChargeT::compile_kernels(UCL_Device &dev, const void *pair_str,
q_tex.get_texture(*pair_program,"q_tex");
#if defined(LAL_OCL_EV_JIT)
oclstring = device->compile_string()+" -DEVFLAG=0";
oclstring = device_compile_string+" -DEVFLAG=0";
if (pair_program_noev) delete pair_program_noev;
pair_program_noev=new UCL_Program(dev);
pair_program_noev->load_string(pair_str,oclstring.c_str(),nullptr,screen);