git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10668 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-08-23 14:46:18 +00:00
parent 402d1a8605
commit 22751a2aae
19 changed files with 2426 additions and 0 deletions
--- a/lib/gpu/lal_beck_ext.cpp
+++ b/lib/gpu/lal_beck_ext.cpp
@ -0,0 +1,120 @@
+/***************************************************************************
+                                 beck_ext.cpp
+                             -------------------
+                            Trung Dac Nguyen (ORNL)
+
+  Functions for LAMMPS access to beck acceleration routines.
+
+ __________________________________________________________________________
+    This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
+ __________________________________________________________________________
+
+    begin                : 
+    email                : nguyentd@ornl.gov
+ ***************************************************************************/
+
+#include <iostream>
+#include <cassert>
+#include <math.h>
+
+#include "lal_beck.h"
+
+using namespace std;
+using namespace LAMMPS_AL;
+
+static Beck<PRECISION,ACC_PRECISION> BLMF;
+
+// ---------------------------------------------------------------------------
+// Allocate memory on host and device and copy constants to device
+// ---------------------------------------------------------------------------
+int beck_gpu_init(const int ntypes, double **cutsq, double **aa,
+                  double **alpha, double **beta, double **AA, double **BB,
+                  double *special_lj, const int inum, const int nall,
+                  const int max_nbors, const int maxspecial,
+                  const double cell_size, int &gpu_mode, FILE *screen) {
+  BLMF.clear();
+  gpu_mode=BLMF.device->gpu_mode();
+  double gpu_split=BLMF.device->particle_split();
+  int first_gpu=BLMF.device->first_device();
+  int last_gpu=BLMF.device->last_device();
+  int world_me=BLMF.device->world_me();
+  int gpu_rank=BLMF.device->gpu_rank();
+  int procs_per_gpu=BLMF.device->procs_per_gpu();
+
+  BLMF.device->init_message(screen,"beck",first_gpu,last_gpu);
+
+  bool message=false;
+  if (BLMF.device->replica_me()==0 && screen)
+    message=true;
+
+  if (message) {
+    fprintf(screen,"Initializing GPU and compiling on process 0...");
+    fflush(screen);
+  }
+
+  int init_ok=0;
+  if (world_me==0)
+    init_ok=BLMF.init(ntypes, cutsq, aa, alpha, beta,
+                      AA, BB, special_lj, inum, nall, 300,
+                      maxspecial, cell_size, gpu_split, screen);
+
+  BLMF.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 GPU %d on core %d...",first_gpu,i);
+      else
+        fprintf(screen,"Initializing GPUs %d-%d on core %d...",first_gpu,
+                last_gpu,i);
+      fflush(screen);
+    }
+    if (gpu_rank==i && world_me!=0)
+      init_ok=BLMF.init(ntypes, cutsq, aa, alpha, beta, AA, BB,
+                        special_lj, inum, nall, 300, maxspecial,
+                        cell_size, gpu_split, screen);
+
+    BLMF.device->gpu_barrier();
+    if (message) 
+      fprintf(screen,"Done.\n");
+  }
+  if (message)
+    fprintf(screen,"\n");
+
+  if (init_ok==0)
+    BLMF.estimate_gpu_overhead();
+  return init_ok;
+}
+
+void beck_gpu_clear() {
+  BLMF.clear();
+}
+
+int ** beck_gpu_compute_n(const int ago, const int inum_full,
+                           const int nall, double **host_x, int *host_type,
+                           double *sublo, double *subhi, int *tag, int **nspecial,
+                           int **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 BLMF.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 beck_gpu_compute(const int ago, const int inum_full, const int nall,
+                       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) {
+  BLMF.compute(ago,inum_full,nall,host_x,host_type,ilist,numj,
+               firstneigh,eflag,vflag,eatom,vatom,host_start,cpu_time,success);
+}
+
+double beck_gpu_bytes() {
+  return BLMF.host_memory_usage();
+}
+
+