lal_sw_ext.cpp
28194a14eb82master

lal_sw_ext.cpp
View Options

			/***************************************************************************
			sw_ext.cpp
			-------------------
			W. Michael Brown (ORNL)

			Functions for LAMMPS access to sw acceleration routines.

			__________________________________________________________________________
			This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
			__________________________________________________________________________

			begin : Tue March 26, 2013
			email : brownw@ornl.gov
			***************************************************************************/

			#include <iostream>
			#include <cassert>
			#include <math.h>

			#include "lal_sw.h"

			using namespace std;
			using namespace LAMMPS_AL;

			static SW<PRECISION,ACC_PRECISION> SWMF;

			// ---------------------------------------------------------------------------
			// Allocate memory on host and device and copy constants to device
			// ---------------------------------------------------------------------------
			int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_nbors,
			const double cell_size, int &gpu_mode, FILE *screen,
			int* host_map, const int nelements, int*** host_elem2param, const int nparams,
			const double* sw_epsilon, const double* sw_sigma,
			const double* sw_lambda, const double* sw_gamma,
			const double* sw_costheta, const double* sw_biga,
			const double* sw_bigb, const double* sw_powerp,
			const double* sw_powerq, const double* sw_cut,
			const double* sw_cutsq) {
			SWMF.clear();
			gpu_mode=SWMF.device->gpu_mode();
			double gpu_split=SWMF.device->particle_split();
			int first_gpu=SWMF.device->first_device();
			int last_gpu=SWMF.device->last_device();
			int world_me=SWMF.device->world_me();
			int gpu_rank=SWMF.device->gpu_rank();
			int procs_per_gpu=SWMF.device->procs_per_gpu();

			// disable host/device split for now
			if (gpu_split != 1.0)
			return -8;

			SWMF.device->init_message(screen,"sw/gpu",first_gpu,last_gpu);

			bool message=false;
			if (SWMF.device->replica_me()==0 && screen)
			message=true;

			if (message) {
			fprintf(screen,"Initializing Device and compiling on process 0...");
			fflush(screen);
			}

			int init_ok=0;
			if (world_me==0)
			init_ok=SWMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
			host_map, nelements, host_elem2param, nparams,
			sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
			sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut, sw_cutsq);

			SWMF.device->world_barrier();
			if (message)
			fprintf(screen,"Done.\n");

			for (int i=0; i<procs_per_gpu; i++) {
			if (message) {
			if (last_gpu-first_gpu==0)
			fprintf(screen,"Initializing Device %d on core %d...",first_gpu,i);
			else
			fprintf(screen,"Initializing Devices %d-%d on core %d...",first_gpu,
			last_gpu,i);
			fflush(screen);
			}
			if (gpu_rank==i && world_me!=0)
			init_ok=SWMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
			host_map, nelements, host_elem2param, nparams,
			sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
			sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut,
			sw_cutsq);

			SWMF.device->gpu_barrier();
			if (message)
			fprintf(screen,"Done.\n");
			}
			if (message)
			fprintf(screen,"\n");

			if (init_ok==0)
			SWMF.estimate_gpu_overhead();
			return init_ok;
			}

			void sw_gpu_clear() {
			SWMF.clear();
			}

			int ** sw_gpu_compute_n(const int ago, const int inum_full,
			const int nall, double *host_x, int host_type,
			double sublo, double subhi, tagint tag, int *nspecial,
			tagint **special, const bool eflag, const bool vflag,
			const bool eatom, const bool vatom, int &host_start,
			int ilist, int jnum, const double cpu_time,
			bool &success) {
			return SWMF.compute(ago, inum_full, nall, host_x, host_type, sublo,
			subhi, tag, nspecial, special, eflag, vflag, eatom,
			vatom, host_start, ilist, jnum, cpu_time, success);
			}

			void sw_gpu_compute(const int ago, const int nlocal, const int nall,
			const int nlist, double *host_x, int host_type,
			int ilist, int numj, int **firstneigh, const bool eflag,
			const bool vflag, const bool eatom, const bool vatom,
			int &host_start, const double cpu_time, bool &success) {
			SWMF.compute(ago,nlocal,nall,nlist,host_x,host_type,ilist,numj,
			firstneigh,eflag,vflag,eatom,vatom,host_start,cpu_time,success);
			}

			double sw_gpu_bytes() {
			return SWMF.host_memory_usage();
			}

lammps/lib/gpu/lal_sw_ext.cpp28194a14eb82master

lal_sw_ext.cppView Options

lammps/lib/gpu/lal_sw_ext.cpp
28194a14eb82master

lal_sw_ext.cpp
View Options