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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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68
lib/gpu/lal_device.h
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : brownw@ornl.gov
***************************************************************************/
@ -28,29 +28,29 @@
namespace LAMMPS_AL {
template <class numtyp, class acctyp,
template <class numtyp, class acctyp,
class grdtyp, class grdtyp4> class PPPM;
template <class numtyp, class acctyp>
class Device {
public:
Device();
~Device();
~Device();
/// Initialize the device for use by this process
/** Sets up a per-device MPI communicator for load balancing and initializes
* the device (>=first_gpu and <=last_gpu) that this proc will be using
* the device (>=first_gpu and <=last_gpu) that this proc will be using
* Returns:
* - 0 if successfull
* - -2 if GPU not found
* - -4 if GPU library not compiled for GPU
* - -6 if GPU could not be initialized for use
* - -7 if accelerator sharing is not currently allowed on system
* - -7 if accelerator sharing is not currently allowed on system
* - -11 if vendor_string has the wrong number of parameters **/
int init_device(MPI_Comm world, MPI_Comm replica, const int first_gpu,
const int last_gpu, const int gpu_mode,
int init_device(MPI_Comm world, MPI_Comm replica, const int first_gpu,
const int last_gpu, const int gpu_mode,
const double particle_split, const int nthreads,
const int t_per_atom, const double cell_size,
const int t_per_atom, const double cell_size,
char *vendor_string, const int block_pair);
/// Initialize the device for Atom and Neighbor storage
@ -62,9 +62,9 @@ class Device {
* 1 if gpu_nbor is true, and host needs a half nbor list,
* 2 if gpu_nbor is true, and host needs a full nbor list
* \param max_nbors Initial number of rows in the neighbor matrix
* \param cell_size cutoff+skin
* \param cell_size cutoff+skin
* \param pre_cut True if cutoff test will be performed in separate kernel
* than the force kernel
* than the force kernel
* \param threads_per_atom value to be used by the neighbor list only
*
* Returns:
@ -113,25 +113,25 @@ class Device {
/// Returns true if double precision is supported on card
inline bool double_precision() { return gpu->double_precision(); }
/// Output a message with timing information
void output_times(UCL_Timer &time_pair, Answer<numtyp,acctyp> &ans,
Neighbor &nbor, const double avg_split,
void output_times(UCL_Timer &time_pair, Answer<numtyp,acctyp> &ans,
Neighbor &nbor, const double avg_split,
const double max_bytes, const double gpu_overhead,
const double driver_overhead,
const double driver_overhead,
const int threads_per_atom, FILE *screen);
/// Output a message with timing information
void output_kspace_times(UCL_Timer &time_in, UCL_Timer &time_out,
UCL_Timer & time_map, UCL_Timer & time_rho,
UCL_Timer &time_interp,
Answer<numtyp,acctyp> &ans,
UCL_Timer &time_interp,
Answer<numtyp,acctyp> &ans,
const double max_bytes, const double cpu_time,
const double cpu_idle_time, FILE *screen);
/// Clear all memory on host and device associated with atom and nbor data
void clear();
/// Clear all memory on host and device
void clear_device();
@ -149,24 +149,24 @@ class Device {
while (ans_queue.empty()==false) {
evdw+=ans_queue.front()->get_answers(f,tor,eatom,vatom,virial,ecoul);
ans_queue.pop();
}
}
return evdw;
}
return 0.0;
}
/// Start timer on host
inline void start_host_timer()
inline void start_host_timer()
{ _cpu_full=MPI_Wtime(); _host_timer_started=true; }
/// Stop timer on host
inline void stop_host_timer() {
inline void stop_host_timer() {
if (_host_timer_started) {
_cpu_full=MPI_Wtime()-_cpu_full;
_cpu_full=MPI_Wtime()-_cpu_full;
_host_timer_started=false;
}
}
/// Return host time
inline double host_time() { return _cpu_full; }
@ -239,8 +239,8 @@ class Device {
/// Number of threads executing concurrently on same multiproc
inline int warp_size() const { return _warp_size; }
// -------------------- SHARED DEVICE ROUTINES --------------------
// Perform asynchronous zero of integer array
// -------------------- SHARED DEVICE ROUTINES --------------------
// Perform asynchronous zero of integer array
void zero(UCL_D_Vec<int> &mem, const int numel) {
int num_blocks=static_cast<int>(ceil(static_cast<double>(numel)/
_block_pair));
@ -248,25 +248,25 @@ class Device {
k_zero.run(&mem,&numel);
}
// -------------------------- DEVICE DATA -------------------------
// -------------------------- DEVICE DATA -------------------------
/// Geryon Device
UCL_Device *gpu;
enum{GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH};
// --------------------------- ATOM DATA --------------------------
// --------------------------- ATOM DATA --------------------------
/// Atom Data
Atom<numtyp,acctyp> atom;
// --------------------------- NBOR DATA ----------------------------
/// Neighbor Data
NeighborShared _neighbor_shared;
// ------------------------ LONG RANGE DATA -------------------------
// Long Range Data
int _long_range_precompute;
PPPM<numtyp,acctyp,float,_lgpu_float4> *pppm_single;
@ -282,7 +282,7 @@ class Device {
pppm_double->precompute(ago,nlocal,nall,host_x,host_type,success,charge,
boxlo,prd);
}
inline std::string compile_string() { return _ocl_compile_string; }
private:
@ -290,7 +290,7 @@ class Device {
int _init_count;
bool _device_init, _host_timer_started, _time_device;
MPI_Comm _comm_world, _comm_replica, _comm_gpu;
int _procs_per_gpu, _gpu_rank, _world_me, _world_size, _replica_me,
int _procs_per_gpu, _gpu_rank, _world_me, _world_size, _replica_me,
_replica_size;
int _gpu_mode, _first_device, _last_device, _nthreads;
double _particle_split;
@ -310,10 +310,10 @@ class Device {
int compile_kernels();
int _data_in_estimate, _data_out_estimate;
std::string _ocl_vendor_name, _ocl_vendor_string, _ocl_compile_string;
int set_ocl_params(char *);
template <class t>
inline std::string toa(const t& in) {
std::ostringstream o;