Rename Kokkos variables

src/KOKKOS/kokkos.cpp

@@ -78,9 +78,9 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   // process any command-line args that invoke Kokkos settings
 
-  ngpu = 0;
+  ngpus = 0;
   int device = 0;
-  num_threads = 1;
+  nthreads = 1;
   numa = 1;
 
   int iarg = 0;
@@ -96,7 +96,7 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
       error->all(FLERR,"GPUs are requested but Kokkos has not been compiled for CUDA");
 #endif
       if (iarg+2 > narg) error->all(FLERR,"Invalid Kokkos command-line args");
-      ngpu = atoi(arg[iarg+1]);
+      ngpus = atoi(arg[iarg+1]);
 
       int skip_gpu = 9999;
       if (iarg+2 < narg && isdigit(arg[iarg+2][0])) {
@@ -108,23 +108,23 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
       char *str;
       if ((str = getenv("SLURM_LOCALID"))) {
         int local_rank = atoi(str);
-        device = local_rank % ngpu;
+        device = local_rank % ngpus;
         if (device >= skip_gpu) device++;
       }
       if ((str = getenv("MV2_COMM_WORLD_LOCAL_RANK"))) {
         int local_rank = atoi(str);
-        device = local_rank % ngpu;
+        device = local_rank % ngpus;
         if (device >= skip_gpu) device++;
       }
       if ((str = getenv("OMPI_COMM_WORLD_LOCAL_RANK"))) {
         int local_rank = atoi(str);
-        device = local_rank % ngpu;
+        device = local_rank % ngpus;
         if (device >= skip_gpu) device++;
       }
 
     } else if (strcmp(arg[iarg],"t") == 0 ||
                strcmp(arg[iarg],"threads") == 0) {
-      num_threads = atoi(arg[iarg+1]);
+      nthreads = atoi(arg[iarg+1]);
       iarg += 2;
 
     } else if (strcmp(arg[iarg],"n") == 0 ||
@@ -138,12 +138,12 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   // initialize Kokkos
 
   if (me == 0) {
-    if (screen) fprintf(screen,"  will use up to %d GPU(s) per node\n",ngpu);
+    if (screen) fprintf(screen,"  will use up to %d GPU(s) per node\n",ngpus);
-    if (logfile) fprintf(logfile,"  will use up to %d GPU(s) per node\n",ngpu);
+    if (logfile) fprintf(logfile,"  will use up to %d GPU(s) per node\n",ngpus);
   }
 
 #ifdef KOKKOS_ENABLE_CUDA
-  if (ngpu <= 0)
+  if (ngpus <= 0)
     error->all(FLERR,"Kokkos has been compiled for CUDA but no GPUs are requested");
 
   // check and warn about GPU-direct availability when using multiple MPI tasks
@@ -167,14 +167,14 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 #endif
 
 #ifndef KOKKOS_ENABLE_SERIAL
-  if (num_threads == 1)
+  if (nthreads == 1)
     error->warning(FLERR,"When using a single thread, the Kokkos Serial backend "
                          "(i.e. Makefile.kokkos_mpi_only) gives better performance "
                          "than the OpenMP backend");
 #endif
 
   Kokkos::InitArguments args;
-  args.num_threads = num_threads;
+  args.num_threads = nthreads;
   args.num_numa = numa;
   args.device_id = device;
 
@@ -184,7 +184,7 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   binsize = 0.0;
   gpu_direct_flag = 1;
-  if (ngpu > 0) {
+  if (ngpus > 0) {
     neighflag = FULL;
     neighflag_qeq = FULL;
     neighflag_qeq_set = 0;
@@ -192,7 +192,7 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
     exchange_comm_classic = forward_comm_classic = reverse_comm_classic = 0;
     exchange_comm_on_host = forward_comm_on_host = reverse_comm_on_host = 0;
   } else {
-    if (num_threads > 1) {
+    if (nthreads > 1) {
       neighflag = HALFTHREAD;
       neighflag_qeq = HALFTHREAD;
     } else {
@@ -236,7 +236,7 @@ void KokkosLMP::accelerator(int narg, char **arg)
       if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
       if (strcmp(arg[iarg+1],"full") == 0) neighflag = FULL;
       else if (strcmp(arg[iarg+1],"half") == 0) {
-        if (num_threads > 1 || ngpu > 0)
+        if (nthreads > 1 || ngpus > 0)
           neighflag = HALFTHREAD;
         else
           neighflag = HALF;
@@ -248,7 +248,7 @@ void KokkosLMP::accelerator(int narg, char **arg)
       if (iarg+2 > narg) error->all(FLERR,"Illegal package kokkos command");
       if (strcmp(arg[iarg+1],"full") == 0) neighflag_qeq = FULL;
       else if (strcmp(arg[iarg+1],"half") == 0) {
-        if (num_threads > 1 || ngpu > 0)
+        if (nthreads > 1 || ngpus > 0)
           neighflag_qeq = HALFTHREAD;
         else
           neighflag_qeq = HALF;

src/KOKKOS/kokkos.h

@@ -32,7 +32,7 @@ class KokkosLMP : protected Pointers {
   int exchange_comm_on_host;
   int forward_comm_on_host;
   int reverse_comm_on_host;
-  int num_threads,ngpu;
+  int nthreads,ngpus;
   int numa;
   int auto_sync;
   int gpu_direct_flag;

src/KOKKOS/neighbor_kokkos.cpp

@@ -362,7 +362,7 @@ void NeighborKokkos::modify_mol_intra_grow_kokkos(){
 
 /* ---------------------------------------------------------------------- */
 void NeighborKokkos::set_binsize_kokkos() {
-  if (!binsizeflag && lmp->kokkos->ngpu > 0) {
+  if (!binsizeflag && lmp->kokkos->ngpus > 0) {
     binsize_user = cutneighmax;
     binsizeflag = 1;
   }

src/KOKKOS/pair_exp6_rx_kokkos.cpp

@@ -310,12 +310,12 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
 
 #else // No atomics
 
-  num_threads = lmp->kokkos->num_threads;
+  nthreads = lmp->kokkos->nthreads;
   int nmax = f.extent(0);
   if (nmax > t_f.extent(1)) {
-    t_f = t_f_array_thread("pair_exp6_rx:t_f",num_threads,nmax);
+    t_f = t_f_array_thread("pair_exp6_rx:t_f",nthreads,nmax);
-    t_uCG = t_efloat_1d_thread("pair_exp6_rx:t_uCG",num_threads,nmax);
+    t_uCG = t_efloat_1d_thread("pair_exp6_rx:t_uCG",nthreads,nmax);
-    t_uCGnew = t_efloat_1d_thread("pair_exp6_rx:t_UCGnew",num_threads,nmax);
+    t_uCGnew = t_efloat_1d_thread("pair_exp6_rx:t_UCGnew",nthreads,nmax);
   }
 
   Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairExp6rxZeroDupViews>(0,nmax),*this);
@@ -1642,7 +1642,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIG
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxCollapseDupViews, const int &i) const {
-  for (int n = 0; n < num_threads; n++) {
+  for (int n = 0; n < nthreads; n++) {
     f(i,0) += t_f(n,i,0);
     f(i,1) += t_f(n,i,1);
     f(i,2) += t_f(n,i,2);
@@ -1654,7 +1654,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxCollapseDupViews, con
 template<class DeviceType>
 KOKKOS_INLINE_FUNCTION
 void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxZeroDupViews, const int &i) const {
-  for (int n = 0; n < num_threads; n++) {
+  for (int n = 0; n < nthreads; n++) {
     t_f(n,i,0) = 0.0;
     t_f(n,i,1) = 0.0;
     t_f(n,i,2) = 0.0;
@@ -2105,7 +2105,7 @@ void PairExp6rxKokkos<DeviceType>::getMixingWeights(int id,double &epsilon1,doub
 void partition_range( const int begin, const int end, int &thread_begin, int &thread_end, const int chunkSize = 1)
 {
    int threadId = omp_get_thread_num();
-   int nThreads = omp_get_num_threads();
+   int nThreads = omp_get_nthreads();
 
    const int len = end - begin;
    const int nBlocks = (len + (chunkSize - 1)) / chunkSize;

src/KOKKOS/pair_exp6_rx_kokkos.h

@@ -145,7 +145,7 @@ class PairExp6rxKokkos : public PairExp6rx {
   int eflag,vflag;
   int nlocal,newton_pair,neighflag;
   double special_lj[4];
-  int num_threads,ntypes;
+  int nthreads,ntypes;
 
   typename AT::t_x_array_randomread x;
   typename AT::t_f_array f;

src/KOKKOS/pppm_kokkos.cpp

@@ -1656,7 +1656,7 @@ void PPPMKokkos<DeviceType>::make_rho()
   iy = nyhi_out-nylo_out + 1;
 
   copymode = 1;
-  Kokkos::TeamPolicy<DeviceType, TagPPPM_make_rho> config(lmp->kokkos->num_threads,1);
+  Kokkos::TeamPolicy<DeviceType, TagPPPM_make_rho> config(lmp->kokkos->nthreads,1);
   Kokkos::parallel_for(config,*this);
   copymode = 0;
 #endif

src/KOKKOS/rand_pool_wrap_kokkos.cpp

@@ -25,7 +25,7 @@ using namespace LAMMPS_NS;
 RandPoolWrap::RandPoolWrap(int, LAMMPS *lmp) : Pointers(lmp)
 {
   random_thr =  NULL;
-  nthreads = lmp->kokkos->num_threads;
+  nthreads = lmp->kokkos->nthreads;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -59,7 +59,7 @@ void RandPoolWrap::init(RanMars* random, int seed)
   // allocate pool of RNGs
   // generate a random number generator instance for
   // all threads != 0. make sure we use unique seeds.
-  nthreads = lmp->kokkos->num_threads;
+  nthreads = lmp->kokkos->nthreads;
   random_thr = new RanMars*[nthreads];
   for (int tid = 1; tid < nthreads; ++tid) {
     random_thr[tid] = new RanMars(lmp, seed + comm->me

src/accelerator_kokkos.h

@@ -50,8 +50,8 @@ namespace LAMMPS_NS {
 class KokkosLMP {
  public:
   int kokkos_exists;
-  int num_threads;
+  int nthreads;
-  int ngpu;
+  int ngpus;
   int numa;
 
   KokkosLMP(class LAMMPS *, int, char **) {kokkos_exists = 0;}

src/comm.cpp

@@ -81,7 +81,7 @@ Comm::Comm(LAMMPS *lmp) : Pointers(lmp)
   nthreads = 1;
 #ifdef _OPENMP
   if (lmp->kokkos) {
-    nthreads = lmp->kokkos->num_threads * lmp->kokkos->numa;
+    nthreads = lmp->kokkos->nthreads * lmp->kokkos->numa;
   } else if (getenv("OMP_NUM_THREADS") == NULL) {
     nthreads = 1;
     if (me == 0)

src/finish.cpp

@@ -176,9 +176,9 @@ void Finish::end(int flag)
           const char fmt2[] =
             "%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
           if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,
-                              lmp->kokkos->num_threads);
+                              lmp->kokkos->nthreads);
           if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,
-                               lmp->kokkos->num_threads);
+                               lmp->kokkos->nthreads);
         } else {
 #if defined(_OPENMP)
           const char fmt2[] =
@@ -579,7 +579,7 @@ void Finish::end(int flag)
   }
 #endif
 
-  if (lmp->kokkos && lmp->kokkos->ngpu > 0)
+  if (lmp->kokkos && lmp->kokkos->ngpus > 0)
     if (const char* env_clb = getenv("CUDA_LAUNCH_BLOCKING"))
       if (!(strcmp(env_clb,"1") == 0)) {
         error->warning(FLERR,"Timing breakdown may not be accurate "