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Merge branch 'amoeba' into amoeba-gpu

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This commit is contained in:
Trung Nguyen
2022-04-22 16:10:24 -05:00
parent 81bf2eb9b2 a88efcbbda
commit 531e553162
4933 changed files with 388163 additions and 506968 deletions
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11
lib/gpu/lal_device.h
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@ -164,17 +164,15 @@ class Device {
{ ans_queue.push(ans); }
/// Add "answers" (force,energies,etc.) into LAMMPS structures
inline double fix_gpu(double **f, double **tor, double *eatom,
double **vatom, double *virial, double &ecoul,
int &error_flag) {
inline double fix_gpu(double **f, double **tor, double *eatom, double **vatom,
double *virial, double &ecoul, int &error_flag) {
error_flag=0;
atom.data_unavail();
if (ans_queue.empty()==false) {
stop_host_timer();
double evdw=0.0;
while (ans_queue.empty()==false) {
evdw+=ans_queue.front()->get_answers(f,tor,eatom,vatom,virial,ecoul,
error_flag);
evdw += ans_queue.front()->get_answers(f,tor,eatom,vatom,virial,ecoul,error_flag);
ans_queue.pop();
}
return evdw;
@ -313,6 +311,7 @@ class Device {
}
inline std::string compile_string() { return _ocl_compile_string; }
std::string compile_string_nofast();
inline std::string ocl_config_name() { return _ocl_config_name; }
template <class t>
@ -350,7 +349,7 @@ class Device {
int _data_in_estimate, _data_out_estimate;
std::string _ocl_config_name, _ocl_config_string, _ocl_compile_string;
int set_ocl_params(std::string, std::string);
int set_ocl_params(std::string, const std::string &);
};
}