forked from lijiext/lammps
132 lines
4.9 KiB
C++
132 lines
4.9 KiB
C++
/***************************************************************************
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sw_ext.cpp
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-------------------
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W. Michael Brown (ORNL)
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Functions for LAMMPS access to sw acceleration routines.
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__________________________________________________________________________
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This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
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__________________________________________________________________________
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begin : Tue March 26, 2013
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email : brownw@ornl.gov
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***************************************************************************/
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#include <iostream>
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#include <cassert>
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#include <math.h>
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#include "lal_sw.h"
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using namespace std;
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using namespace LAMMPS_AL;
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static SW<PRECISION,ACC_PRECISION> SWMF;
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// ---------------------------------------------------------------------------
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// Allocate memory on host and device and copy constants to device
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// ---------------------------------------------------------------------------
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int sw_gpu_init(const int ntypes, const int inum, const int nall, const int max_nbors,
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const double cell_size, int &gpu_mode, FILE *screen,
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int* host_map, const int nelements, int*** host_elem2param, const int nparams,
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const double* sw_epsilon, const double* sw_sigma,
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const double* sw_lambda, const double* sw_gamma,
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const double* sw_costheta, const double* sw_biga,
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const double* sw_bigb, const double* sw_powerp,
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const double* sw_powerq, const double* sw_cut,
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const double* sw_cutsq) {
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SWMF.clear();
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gpu_mode=SWMF.device->gpu_mode();
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double gpu_split=SWMF.device->particle_split();
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int first_gpu=SWMF.device->first_device();
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int last_gpu=SWMF.device->last_device();
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int world_me=SWMF.device->world_me();
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int gpu_rank=SWMF.device->gpu_rank();
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int procs_per_gpu=SWMF.device->procs_per_gpu();
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// disable host/device split for now
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if (gpu_split != 1.0)
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return -8;
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SWMF.device->init_message(screen,"sw/gpu",first_gpu,last_gpu);
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bool message=false;
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if (SWMF.device->replica_me()==0 && screen)
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message=true;
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if (message) {
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fprintf(screen,"Initializing Device and compiling on process 0...");
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fflush(screen);
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}
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int init_ok=0;
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if (world_me==0)
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init_ok=SWMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
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host_map, nelements, host_elem2param, nparams,
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sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
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sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut, sw_cutsq);
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SWMF.device->world_barrier();
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if (message)
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fprintf(screen,"Done.\n");
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for (int i=0; i<procs_per_gpu; i++) {
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if (message) {
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if (last_gpu-first_gpu==0)
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fprintf(screen,"Initializing Device %d on core %d...",first_gpu,i);
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else
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fprintf(screen,"Initializing Devices %d-%d on core %d...",first_gpu,
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last_gpu,i);
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fflush(screen);
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}
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if (gpu_rank==i && world_me!=0)
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init_ok=SWMF.init(ntypes, inum, nall, 300, cell_size, gpu_split, screen,
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host_map, nelements, host_elem2param, nparams,
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sw_epsilon, sw_sigma, sw_lambda, sw_gamma, sw_costheta,
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sw_biga, sw_bigb, sw_powerp, sw_powerq, sw_cut,
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sw_cutsq);
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SWMF.device->gpu_barrier();
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if (message)
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fprintf(screen,"Done.\n");
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}
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if (message)
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fprintf(screen,"\n");
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if (init_ok==0)
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SWMF.estimate_gpu_overhead();
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return init_ok;
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}
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void sw_gpu_clear() {
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SWMF.clear();
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}
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int ** sw_gpu_compute_n(const int ago, const int inum_full,
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const int nall, double **host_x, int *host_type,
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double *sublo, double *subhi, tagint *tag, int **nspecial,
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tagint **special, const bool eflag, const bool vflag,
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const bool eatom, const bool vatom, int &host_start,
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int **ilist, int **jnum, const double cpu_time,
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bool &success) {
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return SWMF.compute(ago, inum_full, nall, host_x, host_type, sublo,
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subhi, tag, nspecial, special, eflag, vflag, eatom,
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vatom, host_start, ilist, jnum, cpu_time, success);
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}
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void sw_gpu_compute(const int ago, const int nlocal, const int nall,
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const int nlist, double **host_x, int *host_type,
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int *ilist, int *numj, int **firstneigh, const bool eflag,
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const bool vflag, const bool eatom, const bool vatom,
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int &host_start, const double cpu_time, bool &success) {
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SWMF.compute(ago,nlocal,nall,nlist,host_x,host_type,ilist,numj,
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firstneigh,eflag,vflag,eatom,vatom,host_start,cpu_time,success);
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}
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double sw_gpu_bytes() {
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return SWMF.host_memory_usage();
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}
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