diff --git a/src/compute.cpp b/src/compute.cpp index 44eb851887..5a5a0684b4 100644 --- a/src/compute.cpp +++ b/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; diff --git a/src/compute.h b/src/compute.h index 29569a0084..6eabbb7bb6 100644 --- a/src/compute.h +++ b/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 **); diff --git a/src/fix.cpp b/src/fix.cpp index ccb5996456..38853cdd67 100644 --- a/src/fix.cpp +++ b/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; diff --git a/src/fix.h b/src/fix.h index 24d209f019..2eddd9bd35 100644 --- a/src/fix.h +++ b/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 diff --git a/src/modify.cpp b/src/modify.cpp index 03622e5940..e0e72730d4 100644 --- a/src/modify.cpp +++ b/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; diff --git a/src/neigh_list.cpp b/src/neigh_list.cpp index e4015e6bb1..21877adbd1 100644 --- a/src/neigh_list.cpp +++ b/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); diff --git a/src/neigh_list.h b/src/neigh_list.h index 2374fde652..8941b5bcd6 100644 --- a/src/neigh_list.h +++ b/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 diff --git a/src/neigh_request.cpp b/src/neigh_request.cpp index 9a7152a1bf..7df8e95639 100644 --- a/src/neigh_request.cpp +++ b/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; diff --git a/src/neigh_request.h b/src/neigh_request.h index 047f3d0bd6..0187d15746 100644 --- a/src/neigh_request.h +++ b/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; diff --git a/src/neighbor.cpp b/src/neighbor.cpp index d0fdb1407a..f1766dd81e 100644 --- a/src/neighbor.cpp +++ b/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 diff --git a/src/thermo.cpp b/src/thermo.cpp index 5f389f65a8..c610490f88 100644 --- a/src/thermo.cpp +++ b/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 diff --git a/src/thermo.h b/src/thermo.h index 40d316f3e9..cbdbd875ac 100644 --- a/src/thermo.h +++ b/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