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reformat for increased readability

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This commit is contained in:
Axel Kohlmeyer
2021-09-16 07:25:04 -04:00
parent dc50db0675
commit 353b3a2bb3
5 changed files with 25 additions and 35 deletions
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2
lib/gpu/lal_answer.cpp
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@ -23,7 +23,7 @@ namespace LAMMPS_AL {
template <class numtyp, class acctyp>
AnswerT::Answer() : _allocated(false),_eflag(false),_vflag(false),
_inum(0),_ilist(nullptr),_newton(false) {
_inum(0),_ilist(nullptr),_newton(false) {
}
template <class numtyp, class acctyp>

5
lib/gpu/lal_answer.h
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@ -127,9 +127,8 @@ class Answer {
/// Add forces and torques from the GPU into a LAMMPS pointer
void get_answers(double **f, double **tor);
inline double get_answers(double **f, double **tor, double *eatom,
double **vatom, double *virial, double &ecoul,
int &error_flag_in) {
inline double get_answers(double **f, double **tor, double *eatom, double **vatom,
double *virial, double &ecoul, int &error_flag_in) {
double ta=MPI_Wtime();
time_answer.sync_stop();
_time_cpu_idle+=MPI_Wtime()-ta;

27
lib/gpu/lal_device.cpp
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@ -984,18 +984,16 @@ int DeviceT::compile_kernels() {
_max_bio_shared_types=gpu_lib_data[17];
_pppm_max_spline=gpu_lib_data[18];
if (static_cast<size_t>(_block_pair)>gpu->group_size_dim(0) ||
static_cast<size_t>(_block_bio_pair)>gpu->group_size_dim(0) ||
static_cast<size_t>(_block_ellipse)>gpu->group_size_dim(0) ||
static_cast<size_t>(_pppm_block)>gpu->group_size_dim(0) ||
static_cast<size_t>(_block_nbor_build)>gpu->group_size_dim(0) ||
static_cast<size_t>(_block_cell_2d)>gpu->group_size_dim(0) ||
static_cast<size_t>(_block_cell_2d)>gpu->group_size_dim(1) ||
static_cast<size_t>(_block_cell_id)>gpu->group_size_dim(0) ||
static_cast<size_t>(_max_shared_types*_max_shared_types*
sizeof(numtyp)*17 > gpu->slm_size()) ||
static_cast<size_t>(_max_bio_shared_types*2*sizeof(numtyp) >
gpu->slm_size()))
if (static_cast<size_t>(_block_pair) > gpu->group_size_dim(0) ||
static_cast<size_t>(_block_bio_pair) > gpu->group_size_dim(0) ||
static_cast<size_t>(_block_ellipse) > gpu->group_size_dim(0) ||
static_cast<size_t>(_pppm_block) > gpu->group_size_dim(0) ||
static_cast<size_t>(_block_nbor_build) > gpu->group_size_dim(0) ||
static_cast<size_t>(_block_cell_2d) > gpu->group_size_dim(0) ||
static_cast<size_t>(_block_cell_2d) > gpu->group_size_dim(1) ||
static_cast<size_t>(_block_cell_id) > gpu->group_size_dim(0) ||
static_cast<size_t>(_max_shared_types*_max_shared_types*sizeof(numtyp)*17 > gpu->slm_size()) ||
static_cast<size_t>(_max_bio_shared_types*2*sizeof(numtyp) > gpu->slm_size()))
return -13;
if (_block_pair % _simd_size != 0 || _block_bio_pair % _simd_size != 0 ||
@ -1071,9 +1069,8 @@ void lmp_clear_device() {
global_device.clear_device();
}
double lmp_gpu_forces(double **f, double **tor, double *eatom,
double **vatom, double *virial, double &ecoul,
int &error_flag) {
double lmp_gpu_forces(double **f, double **tor, double *eatom, double **vatom,
double *virial, double &ecoul, int &error_flag) {
return global_device.fix_gpu(f,tor,eatom,vatom,virial,ecoul,error_flag);
}

8
lib/gpu/lal_device.h
View File

@ -163,17 +163,15 @@ 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;