git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/compute.cpp

@@ -79,7 +79,6 @@ Compute::Compute(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   comm_forward = comm_reverse = 0;
   dynamic = 0;
   dynamic_group_allow = 1;
-  cudable = 0;
 
   invoked_scalar = invoked_vector = invoked_array = -1;
   invoked_peratom = invoked_local = -1;

src/compute.h

@@ -94,8 +94,6 @@ class Compute : protected Pointers {
 
   int copymode;
 
-  int cudable;              // 1 if compute is CUDA-enabled
-
   Compute(class LAMMPS *, int, char **);
   virtual ~Compute();
   void modify_params(int, char **);

src/fix.cpp

@@ -67,7 +67,6 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   dynamic_group_allow = 0;
   dof_flag = 0;
   special_alter_flag = 0;
-  cudable_comm = 0;
 
   scalar_flag = vector_flag = array_flag = 0;
   peratom_flag = local_flag = 0;

src/fix.h

@@ -51,7 +51,6 @@ class Fix : protected Pointers {
   int dynamic_group_allow;       // 1 if can be used with dynamic group, else 0
   int dof_flag;                  // 1 if has dof() method (not min_dof())
   int special_alter_flag;        // 1 if has special_alter() meth for spec lists
-  int cudable_comm;              // 1 if fix has CUDA-enabled communication
 
   int scalar_flag;               // 0/1 if compute_scalar() function exists
   int vector_flag;               // 0/1 if compute_vector() function exists

src/modify.cpp

@@ -33,7 +33,7 @@ using namespace FixConst;
 
 #define DELTA 4
 #define BIG 1.0e20
-#define NEXCEPT 6       // change when add to exceptions in add_fix()
+#define NEXCEPT 7       // change when add to exceptions in add_fix()
 
 /* ---------------------------------------------------------------------- */
 
@@ -697,7 +697,7 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
   // MUST change NEXCEPT above when add new fix to this list
 
   const char *exceptions[NEXCEPT] =
-    {"GPU","OMP","INTEL","property/atom","cmap","rx"};
+    {"GPU","OMP","INTEL","property/atom","cmap","cmap2","rx"};
 
   if (domain->box_exist == 0) {
     int m;

src/neigh_list.cpp

@@ -250,7 +250,6 @@ void NeighList::print_attributes()
   printf("  %d = omp\n",rq->omp);
   printf("  %d = intel\n",rq->intel);
   printf("  %d = ghost\n",rq->ghost);
-  printf("  %d = cudable\n",rq->cudable);
   printf("  %d = omp\n",rq->omp);
   printf("  %d = copy\n",rq->copy);
   printf("  %d = skip\n",rq->skip);

src/neigh_list.h

@@ -77,8 +77,6 @@ class NeighList : protected Pointers {
   int **stencil_multi;             // list of bin offsets in each stencil
   double **distsq_multi;           // sq distances to bins in each stencil
 
-  class CudaNeighList *cuda_list;  // CUDA neighbor list
-
   NeighList(class LAMMPS *);
   virtual ~NeighList();
   void setup_pages(int, int, int);      // setup page data structures

src/neigh_request.cpp

@@ -45,7 +45,6 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
   // default is encode special bond flags
   // default is no auxiliary floating point values
   // default is no neighbors of ghosts
-  // default is no CUDA neighbor list build
   // default is no multi-threaded neighbor list build
   // default is no Kokkos neighbor list build
   // default is no Shardlow Splitting Algorithm (SSA) neighbor list build
@@ -55,7 +54,6 @@ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp)
   special = 1;
   dnum = 0;
   ghost = 0;
-  cudable = 0;
   omp = 0;
   intel = 0;
   kokkos_host = kokkos_device = 0;
@@ -132,7 +130,6 @@ int NeighRequest::identical(NeighRequest *other)
   if (special != other->special) same = 0;
   if (dnum != other->dnum) same = 0;
   if (ghost != other->ghost) same = 0;
-  if (cudable != other->cudable) same = 0;
   if (omp != other->omp) same = 0;
   if (intel != other->intel) same = 0;
   if (ssa != other->ssa) same = 0;
@@ -163,7 +160,6 @@ int NeighRequest::same_kind(NeighRequest *other)
   if (half_from_full != other->half_from_full) same = 0;
   if (newton != other->newton) same = 0;
   if (ghost != other->ghost) same = 0;
-  if (cudable != other->cudable) same = 0;
   if (omp != other->omp) same = 0;
   if (intel != other->intel) same = 0;
   if (ssa != other->ssa) same = 0;
@@ -215,7 +211,6 @@ void NeighRequest::copy_request(NeighRequest *other)
   newton = other->newton;
   dnum = other->dnum;
   ghost = other->ghost;
-  cudable = other->cudable;
   omp = other->omp;
   intel = other->intel;
   ssa = other->ssa;

src/neigh_request.h

@@ -76,10 +76,6 @@ class NeighRequest : protected Pointers {
 
   int ghost;
 
-  // 1 if neighbor list build will be done on GPU
-
-  int cudable;
-
   // 1 if using multi-threaded neighbor list build for USER-OMP or USER-INTEL
 
   int omp;

src/neighbor.cpp

@@ -625,11 +625,8 @@ void Neighbor::init()
       // fix/compute requests:
       // whether request is occasional or not doesn't matter
       // if request = half and non-skip pair half/respaouter exists,
-      //   become copy of that list if cudable flag matches
       // if request = full and non-skip pair full exists,
-      //   become copy of that list if cudable flag matches
       // if request = half and non-skip pair full exists,
-      //   become half_from_full of that list if cudable flag matches
       // if no matches, do nothing
       //   fix/compute list will be built independently as needed
       // ok if parent is itself a copy list
@@ -646,8 +643,6 @@ void Neighbor::init()
           if (requests[i]->half && requests[j]->pair &&
               requests[j]->skip == 0 && requests[j]->respaouter) break;
         }
-        if (j < nrequest && requests[j]->cudable != requests[i]->cudable)
-          j = nrequest;
         if (j < nrequest) {
           requests[i]->copy = 1;
           requests[i]->otherlist = j;
@@ -658,8 +653,6 @@ void Neighbor::init()
             if (requests[i]->half && requests[j]->pair &&
                 requests[j]->skip == 0 && requests[j]->full) break;
           }
-          if (j < nrequest && requests[j]->cudable != requests[i]->cudable)
-            j = nrequest;
           if (j < nrequest) {
             requests[i]->half = 0;
             requests[i]->half_from_full = 1;
@@ -679,13 +672,11 @@ void Neighbor::init()
 
     // set ptrs to pair_build and stencil_create functions for each list
     // ptrs set to NULL if not set explicitly
-    // also set cudable to 0 if any neigh list request is not cudable
 
     for (i = 0; i < nrequest; i++) {
       choose_build(i,requests[i]);
       if (style != NSQ) choose_stencil(i,requests[i]);
       else stencil_create[i] = NULL;
-      if (!requests[i]->cudable) cudable = 0;
     }
 
     // set each list's build/grow/stencil/ghost flags based on neigh request

src/thermo.cpp

@@ -238,16 +238,12 @@ void Thermo::init()
   }
 
   // find current ptr for each Compute ID
-  // cudable = 0 if any compute used by Thermo is non-CUDA
-
-  cudable = 1;
 
   int icompute;
   for (i = 0; i < ncompute; i++) {
     icompute = modify->find_compute(id_compute[i]);
     if (icompute < 0) error->all(FLERR,"Could not find thermo compute ID");
     computes[i] = modify->compute[icompute];
-    cudable = cudable && computes[i]->cudable;
   }
 
   // find current ptr for each Fix ID

src/thermo.h

@@ -25,7 +25,6 @@ class Thermo : protected Pointers {
   char *style;
   int normflag;          // 0 if do not normalize by atoms, 1 if normalize
   int modified;          // 1 if thermo_modify has been used, else 0
-  int cudable;           // 1 if all computes used are cudable
   int lostflag;          // IGNORE,WARN,ERROR
   int lostbond;          // ditto for atoms in bonds