Created another static instance for dpd/tstat in the GPU library

lib/gpu/Nvidia.makefile

@@ -69,7 +69,7 @@ OBJS = $(OBJ_DIR)/lal_atom.o $(OBJ_DIR)/lal_ans.o \
        $(OBJ_DIR)/lal_soft.o $(OBJ_DIR)/lal_soft_ext.o \
        $(OBJ_DIR)/lal_lj_coul_msm.o $(OBJ_DIR)/lal_lj_coul_msm_ext.o \
        $(OBJ_DIR)/lal_lj_gromacs.o $(OBJ_DIR)/lal_lj_gromacs_ext.o \
-       $(OBJ_DIR)/lal_dpd.o $(OBJ_DIR)/lal_dpd_ext.o \
+       $(OBJ_DIR)/lal_dpd.o $(OBJ_DIR)/lal_dpd_ext.o $(OBJ_DIR)/lal_dpd_tstat_ext.o \
        $(OBJ_DIR)/lal_tersoff.o $(OBJ_DIR)/lal_tersoff_ext.o \
        $(OBJ_DIR)/lal_tersoff_zbl.o $(OBJ_DIR)/lal_tersoff_zbl_ext.o \
        $(OBJ_DIR)/lal_tersoff_mod.o $(OBJ_DIR)/lal_tersoff_mod_ext.o \
@@ -731,6 +731,15 @@ $(OBJ_DIR)/dpd.cubin: lal_dpd.cu lal_precision.h lal_preprocessor.h
 $(OBJ_DIR)/dpd_cubin.h: $(OBJ_DIR)/dpd.cubin $(OBJ_DIR)/dpd.cubin
 	$(BIN2C) -c -n dpd $(OBJ_DIR)/dpd.cubin > $(OBJ_DIR)/dpd_cubin.h
 
+$(OBJ_DIR)/lal_dpd.o: $(ALL_H) lal_dpd.h lal_dpd.cpp $(OBJ_DIR)/dpd_cubin.h $(OBJ_DIR)/lal_base_dpd.o
+	$(CUDR) -o $@ -c lal_dpd.cpp -I$(OBJ_DIR)
+
+$(OBJ_DIR)/lal_dpd_ext.o: $(ALL_H) lal_dpd.h lal_dpd_ext.cpp lal_base_dpd.h
+	$(CUDR) -o $@ -c lal_dpd_ext.cpp -I$(OBJ_DIR)
+
+$(OBJ_DIR)/lal_dpd_tstat_ext.o: $(ALL_H) lal_dpd.h lal_dpd_tstat_ext.cpp lal_base_dpd.h
+	$(CUDR) -o $@ -c lal_dpd_tstat_ext.cpp -I$(OBJ_DIR)
+
 $(OBJ_DIR)/ufm.cubin: lal_ufm.cu lal_precision.h lal_preprocessor.h
 	$(CUDA) --cubin -DNV_KERNEL -o $@ lal_ufm.cu
 
@@ -743,12 +752,6 @@ $(OBJ_DIR)/lal_ufm.o: $(ALL_H) lal_ufm.h lal_ufm.cpp $(OBJ_DIR)/ufm_cubin.h $(OB
 $(OBJ_DIR)/lal_ufm_ext.o: $(ALL_H) lal_ufm.h lal_ufm_ext.cpp lal_base_atomic.h
 	$(CUDR) -o $@ -c lal_ufm_ext.cpp -I$(OBJ_DIR)
 
-$(OBJ_DIR)/lal_dpd.o: $(ALL_H) lal_dpd.h lal_dpd.cpp $(OBJ_DIR)/dpd_cubin.h $(OBJ_DIR)/lal_base_dpd.o
-	$(CUDR) -o $@ -c lal_dpd.cpp -I$(OBJ_DIR)
-
-$(OBJ_DIR)/lal_dpd_ext.o: $(ALL_H) lal_dpd.h lal_dpd_ext.cpp lal_base_dpd.h
-	$(CUDR) -o $@ -c lal_dpd_ext.cpp -I$(OBJ_DIR)
-
 $(OBJ_DIR)/tersoff.cubin: lal_tersoff.cu lal_precision.h lal_tersoff_extra.h lal_preprocessor.h
 	$(CUDA) --cubin -DNV_KERNEL -o $@ lal_tersoff.cu
 

lib/gpu/Nvidia.makefile_multi

@@ -69,7 +69,7 @@ OBJS = $(OBJ_DIR)/lal_atom.o $(OBJ_DIR)/lal_ans.o \
        $(OBJ_DIR)/lal_soft.o $(OBJ_DIR)/lal_soft_ext.o \
        $(OBJ_DIR)/lal_lj_coul_msm.o $(OBJ_DIR)/lal_lj_coul_msm_ext.o \
        $(OBJ_DIR)/lal_lj_gromacs.o $(OBJ_DIR)/lal_lj_gromacs_ext.o \
-       $(OBJ_DIR)/lal_dpd.o $(OBJ_DIR)/lal_dpd_ext.o \
+       $(OBJ_DIR)/lal_dpd.o $(OBJ_DIR)/lal_dpd_ext.o $(OBJ_DIR)/lal_dpd_tstat_ext.o \
        $(OBJ_DIR)/lal_tersoff.o $(OBJ_DIR)/lal_tersoff_ext.o \
        $(OBJ_DIR)/lal_tersoff_zbl.o $(OBJ_DIR)/lal_tersoff_zbl_ext.o \
        $(OBJ_DIR)/lal_tersoff_mod.o $(OBJ_DIR)/lal_tersoff_mod_ext.o \
@@ -82,7 +82,8 @@ OBJS = $(OBJ_DIR)/lal_atom.o $(OBJ_DIR)/lal_ans.o \
        $(OBJ_DIR)/lal_lj_expand_coul_long.o $(OBJ_DIR)/lal_lj_expand_coul_long_ext.o \
        $(OBJ_DIR)/lal_coul_long_cs.o $(OBJ_DIR)/lal_coul_long_cs_ext.o \
        $(OBJ_DIR)/lal_born_coul_long_cs.o $(OBJ_DIR)/lal_born_coul_long_cs_ext.o \
-       $(OBJ_DIR)/lal_born_coul_wolf_cs.o $(OBJ_DIR)/lal_born_coul_wolf_cs_ext.o
+       $(OBJ_DIR)/lal_born_coul_wolf_cs.o $(OBJ_DIR)/lal_born_coul_wolf_cs_ext.o \
+       $(OBJ_DIR)/lal_lj_tip4p_long.o $(OBJ_DIR)/lal_lj_tip4p_long_ext.o
 
 CBNS = $(OBJ_DIR)/device.cubin $(OBJ_DIR)/device_cubin.h \
        $(OBJ_DIR)/atom.cubin $(OBJ_DIR)/atom_cubin.h \
@@ -143,7 +144,8 @@ CBNS = $(OBJ_DIR)/device.cubin $(OBJ_DIR)/device_cubin.h \
        $(OBJ_DIR)/lj_expand_coul_long.cubin $(OBJ_DIR)/lj_expand_coul_long_cubin.h \
        $(OBJ_DIR)/coul_long_cs.cubin $(OBJ_DIR)/coul_long_cs_cubin.h \
        $(OBJ_DIR)/born_coul_long_cs.cubin $(OBJ_DIR)/born_coul_long_cs_cubin.h \
-       $(OBJ_DIR)/born_coul_wolf_cs.cubin $(OBJ_DIR)/born_coul_wolf_cs_cubin.h
+       $(OBJ_DIR)/born_coul_wolf_cs.cubin $(OBJ_DIR)/born_coul_wolf_cs_cubin.h \
+       $(OBJ_DIR)/lj_tip4p_long.cubin $(OBJ_DIR)/lj_tip4p_long_cubin.h
 
 all: $(OBJ_DIR) $(GPU_LIB) $(EXECS)
 
@@ -297,6 +299,18 @@ $(OBJ_DIR)/lal_lj.o: $(ALL_H) lal_lj.h lal_lj.cpp $(OBJ_DIR)/lj_cubin.h $(OBJ_DI
 $(OBJ_DIR)/lal_lj_ext.o: $(ALL_H) lal_lj.h lal_lj_ext.cpp lal_base_atomic.h
 	$(CUDR) -o $@ -c lal_lj_ext.cpp -I$(OBJ_DIR)
 
+$(OBJ_DIR)/lj_tip4p_long.cubin: lal_lj_tip4p_long.cu lal_precision.h lal_preprocessor.h
+	$(CUDA) --fatbin -DNV_KERNEL -o $@ lal_lj_tip4p_long.cu
+
+$(OBJ_DIR)/lj_tip4p_long_cubin.h: $(OBJ_DIR)/lj_tip4p_long.cubin $(OBJ_DIR)/lj_tip4p_long.cubin
+	$(BIN2C)  -c -n lj_tip4p_long $(OBJ_DIR)/lj_tip4p_long.cubin > $(OBJ_DIR)/lj_tip4p_long_cubin.h
+
+$(OBJ_DIR)/lal_lj_tip4p_long.o: $(ALL_H) lal_lj_tip4p_long.h lal_lj_tip4p_long.cpp  $(OBJ_DIR)/lj_tip4p_long_cubin.h $(OBJ_DIR)/lal_base_atomic.o
+	$(CUDR) -o $@ -c lal_lj_tip4p_long.cpp -I$(OBJ_DIR)
+
+$(OBJ_DIR)/lal_lj_tip4p_long_ext.o: $(ALL_H) lal_lj_tip4p_long.h lal_lj_tip4p_long_ext.cpp lal_base_atomic.h
+	$(CUDR) -o $@ -c lal_lj_tip4p_long_ext.cpp -I$(OBJ_DIR)
+
 $(OBJ_DIR)/lj_coul.cubin: lal_lj_coul.cu lal_precision.h lal_preprocessor.h
 	$(CUDA) --fatbin -DNV_KERNEL -o $@ lal_lj_coul.cu
 
@@ -717,6 +731,15 @@ $(OBJ_DIR)/dpd.cubin: lal_dpd.cu lal_precision.h lal_preprocessor.h
 $(OBJ_DIR)/dpd_cubin.h: $(OBJ_DIR)/dpd.cubin $(OBJ_DIR)/dpd.cubin
 	$(BIN2C) -c -n dpd $(OBJ_DIR)/dpd.cubin > $(OBJ_DIR)/dpd_cubin.h
 
+$(OBJ_DIR)/lal_dpd.o: $(ALL_H) lal_dpd.h lal_dpd.cpp $(OBJ_DIR)/dpd_cubin.h $(OBJ_DIR)/lal_base_dpd.o
+	$(CUDR) -o $@ -c lal_dpd.cpp -I$(OBJ_DIR)
+
+$(OBJ_DIR)/lal_dpd_ext.o: $(ALL_H) lal_dpd.h lal_dpd_ext.cpp lal_base_dpd.h
+	$(CUDR) -o $@ -c lal_dpd_ext.cpp -I$(OBJ_DIR)
+
+$(OBJ_DIR)/lal_dpd_tstat_ext.o: $(ALL_H) lal_dpd.h lal_dpd_tstat_ext.cpp lal_base_dpd.h
+	$(CUDR) -o $@ -c lal_dpd_tstat_ext.cpp -I$(OBJ_DIR)
+
 $(OBJ_DIR)/ufm.cubin: lal_ufm.cu lal_precision.h lal_preprocessor.h
 	$(CUDA) --fatbin -DNV_KERNEL -o $@ lal_ufm.cu
 
@@ -729,12 +752,6 @@ $(OBJ_DIR)/lal_ufm.o: $(ALL_H) lal_ufm.h lal_ufm.cpp $(OBJ_DIR)/ufm_cubin.h $(OB
 $(OBJ_DIR)/lal_ufm_ext.o: $(ALL_H) lal_ufm.h lal_ufm_ext.cpp lal_base_atomic.h
 	$(CUDR) -o $@ -c lal_ufm_ext.cpp -I$(OBJ_DIR)
 
-$(OBJ_DIR)/lal_dpd.o: $(ALL_H) lal_dpd.h lal_dpd.cpp $(OBJ_DIR)/dpd_cubin.h $(OBJ_DIR)/lal_base_dpd.o
-	$(CUDR) -o $@ -c lal_dpd.cpp -I$(OBJ_DIR)
-
-$(OBJ_DIR)/lal_dpd_ext.o: $(ALL_H) lal_dpd.h lal_dpd_ext.cpp lal_base_dpd.h
-	$(CUDR) -o $@ -c lal_dpd_ext.cpp -I$(OBJ_DIR)
-
 $(OBJ_DIR)/tersoff.cubin: lal_tersoff.cu lal_precision.h lal_tersoff_extra.h lal_preprocessor.h
 	$(CUDA) --fatbin -DNV_KERNEL -o $@ lal_tersoff.cu
 

lib/gpu/Opencl.makefile

@@ -58,7 +58,7 @@ OBJS = $(OBJ_DIR)/lal_atom.o $(OBJ_DIR)/lal_answer.o \
        $(OBJ_DIR)/lal_soft.o $(OBJ_DIR)/lal_soft_ext.o \
        $(OBJ_DIR)/lal_lj_coul_msm.o $(OBJ_DIR)/lal_lj_coul_msm_ext.o \
        $(OBJ_DIR)/lal_lj_gromacs.o $(OBJ_DIR)/lal_lj_gromacs_ext.o \
-       $(OBJ_DIR)/lal_dpd.o $(OBJ_DIR)/lal_dpd_ext.o \
+       $(OBJ_DIR)/lal_dpd.o $(OBJ_DIR)/lal_dpd_ext.o $(OBJ_DIR)/lal_dpd_tstat_ext.o \
        $(OBJ_DIR)/lal_tersoff.o $(OBJ_DIR)/lal_tersoff_ext.o \
        $(OBJ_DIR)/lal_tersoff_zbl.o $(OBJ_DIR)/lal_tersoff_zbl_ext.o \
        $(OBJ_DIR)/lal_tersoff_mod.o $(OBJ_DIR)/lal_tersoff_mod_ext.o \
@@ -534,6 +534,9 @@ $(OBJ_DIR)/lal_dpd.o: $(ALL_H) lal_dpd.h lal_dpd.cpp  $(OBJ_DIR)/dpd_cl.h $(OBJ_
 $(OBJ_DIR)/lal_dpd_ext.o: $(ALL_H) lal_dpd.h lal_dpd_ext.cpp lal_base_dpd.h
 	$(OCL) -o $@ -c lal_dpd_ext.cpp -I$(OBJ_DIR)
 
+$(OBJ_DIR)/lal_dpd_tstat_ext.o: $(ALL_H) lal_dpd.h lal_dpd_tstat_ext.cpp lal_base_dpd.h
+	$(OCL) -o $@ -c lal_dpd_tstat_ext.cpp -I$(OBJ_DIR)
+
 $(OBJ_DIR)/tersoff_cl.h: lal_tersoff.cu lal_tersoff_extra.h $(PRE1_H)
 	$(BSH) ./geryon/file_to_cstr.sh tersoff $(PRE1_H) lal_tersoff_extra.h lal_tersoff.cu $(OBJ_DIR)/tersoff_cl.h;
 

lib/gpu/lal_dpd_ext.cpp

@@ -29,7 +29,7 @@ static DPD<PRECISION,ACC_PRECISION> DPDMF;
 // ---------------------------------------------------------------------------
 int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
                  double **host_gamma, double **host_sigma, double **host_cut,
-                 double *special_lj, bool tstat_only, const int inum,
+                 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) {
   DPDMF.clear();
@@ -55,7 +55,7 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
   int init_ok=0;
   if (world_me==0)
     init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
-                       host_cut, special_lj, tstat_only, inum, nall, 300,
+                       host_cut, special_lj, false, inum, nall, 300,
                        maxspecial, cell_size, gpu_split, screen);
 
   DPDMF.device->world_barrier();
@@ -73,7 +73,7 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
     }
     if (gpu_rank==i && world_me!=0)
       init_ok=DPDMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
-                         host_cut, special_lj, tstat_only, inum, nall, 300,
+                         host_cut, special_lj, false, inum, nall, 300,
                          maxspecial, cell_size, gpu_split, screen);
 
     DPDMF.device->gpu_barrier();

lib/gpu/lal_dpd_tstat_ext.cpp

@@ -0,0 +1,133 @@
+/***************************************************************************
+                                 dpd_ext.cpp
+                             -------------------
+                            Trung Dac Nguyen (ORNL)
+
+  Functions for LAMMPS access to dpd acceleration routines.
+
+ __________________________________________________________________________
+    This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
+ __________________________________________________________________________
+
+    begin                : Jan 15, 2014
+    email                : nguyentd@ornl.gov
+ ***************************************************************************/
+
+#include <iostream>
+#include <cassert>
+#include <cmath>
+
+#include "lal_dpd.h"
+
+using namespace std;
+using namespace LAMMPS_AL;
+
+static DPD<PRECISION,ACC_PRECISION> DPDTMF;
+
+// ---------------------------------------------------------------------------
+// Allocate memory on host and device and copy constants to device
+// ---------------------------------------------------------------------------
+int dpd_tstat_gpu_init(const int ntypes, double **cutsq, double **host_a0,
+                 double **host_gamma, double **host_sigma, double **host_cut,
+                 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) {
+  DPDTMF.clear();
+  gpu_mode=DPDTMF.device->gpu_mode();
+  double gpu_split=DPDTMF.device->particle_split();
+  int first_gpu=DPDTMF.device->first_device();
+  int last_gpu=DPDTMF.device->last_device();
+  int world_me=DPDTMF.device->world_me();
+  int gpu_rank=DPDTMF.device->gpu_rank();
+  int procs_per_gpu=DPDTMF.device->procs_per_gpu();
+
+  DPDTMF.device->init_message(screen,"dpd",first_gpu,last_gpu);
+
+  bool message=false;
+  if (DPDTMF.device->replica_me()==0 && screen)
+    message=true;
+
+  if (message) {
+    fprintf(screen,"Initializing Device and compiling on process 0...");
+    fflush(screen);
+  }
+
+  int init_ok=0;
+  if (world_me==0)
+    init_ok=DPDTMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
+                       host_cut, special_lj, true, inum, nall, 300,
+                       maxspecial, cell_size, gpu_split, screen);
+
+  DPDTMF.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 Device %d on core %d...",first_gpu,i);
+      else
+        fprintf(screen,"Initializing Devices %d-%d on core %d...",first_gpu,
+                last_gpu,i);
+      fflush(screen);
+    }
+    if (gpu_rank==i && world_me!=0)
+      init_ok=DPDTMF.init(ntypes, cutsq, host_a0, host_gamma, host_sigma,
+                         host_cut, special_lj, true, inum, nall, 300,
+                         maxspecial, cell_size, gpu_split, screen);
+
+    DPDTMF.device->gpu_barrier();
+    if (message)
+      fprintf(screen,"Done.\n");
+  }
+  if (message)
+    fprintf(screen,"\n");
+
+  if (init_ok==0)
+    DPDTMF.estimate_gpu_overhead();
+  return init_ok;
+}
+
+void dpd_tstat_gpu_clear() {
+  DPDTMF.clear();
+}
+
+int ** dpd_tstat_gpu_compute_n(const int ago, const int inum_full, const int nall,
+                         double **host_x, int *host_type, double *sublo,
+                         double *subhi, tagint *tag, int **nspecial,
+                         tagint **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,
+                         double **host_v, const double dtinvsqrt,
+                         const int seed, const int timestep,
+                         double *boxlo, double *prd) {
+  return DPDTMF.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,
+                       host_v, dtinvsqrt, seed, timestep, boxlo, prd);
+}
+
+void dpd_tstat_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, tagint *tag,
+                     double **host_v, const double dtinvsqrt,
+                     const int seed, const int timestep,
+                     const int nlocal, double *boxlo, double *prd) {
+  DPDTMF.compute(ago, inum_full, nall, host_x, host_type, ilist, numj,
+                firstneigh, eflag, vflag, eatom, vatom, host_start, cpu_time, success,
+                tag, host_v, dtinvsqrt, seed, timestep, nlocal, boxlo, prd);
+}
+
+void dpd_tstat_gpu_update_coeff(int ntypes, double **host_a0, double **host_gamma,
+                          double **host_sigma, double **host_cut)
+{
+   DPDTMF.update_coeff(ntypes,host_a0,host_gamma,host_sigma,host_cut);
+}
+
+double dpd_tstat_gpu_bytes() {
+  return DPDTMF.host_memory_usage();
+}
+
+

src/GPU/pair_dpd_gpu.cpp

@@ -43,7 +43,7 @@ using namespace LAMMPS_NS;
 
 int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
                  double **host_gamma, double **host_sigma, double **host_cut,
-                 double *special_lj, bool tstat_only, const int inum,
+                 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);
 void dpd_gpu_clear();
@@ -309,7 +309,7 @@ void PairDPDGPU::init_style()
   if (atom->molecular)
     maxspecial=atom->maxspecial;
   int success = dpd_gpu_init(atom->ntypes+1, cutsq, a0, gamma, sigma,
-                             cut, force->special_lj, false, atom->nlocal,
+                             cut, force->special_lj, atom->nlocal,
                              atom->nlocal+atom->nghost, 300, maxspecial,
                              cell_size, gpu_mode, screen);
   GPU_EXTRA::check_flag(success,error,world);

src/GPU/pair_dpd_tstat_gpu.cpp

@@ -41,13 +41,13 @@ using namespace LAMMPS_NS;
 
 // External functions from cuda library for atom decomposition
 
-int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0,
+int dpd_tstat_gpu_init(const int ntypes, double **cutsq, double **host_a0,
                  double **host_gamma, double **host_sigma, double **host_cut,
-                 double *special_lj, bool tstat_only, const int inum,
+                 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);
-void dpd_gpu_clear();
+void dpd_tstat_gpu_clear();
-int ** dpd_gpu_compute_n(const int ago, const int inum_full, const int nall,
+int ** dpd_tstat_gpu_compute_n(const int ago, const int inum_full, const int nall,
                          double **host_x, int *host_type, double *sublo,
                          double *subhi, tagint *tag, int **nspecial,
                          tagint **special, const bool eflag, const bool vflag,
@@ -56,7 +56,7 @@ int ** dpd_gpu_compute_n(const int ago, const int inum_full, const int nall,
                          double **host_v, const double dtinvsqrt,
                          const int seed, const int timestep,
                          double *boxlo, double *prd);
-void dpd_gpu_compute(const int ago, const int inum_full, const int nall,
+void dpd_tstat_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,
@@ -64,9 +64,9 @@ void dpd_gpu_compute(const int ago, const int inum_full, const int nall,
                      double **host_v, const double dtinvsqrt,
                      const int seed, const int timestep,
                      const int nlocal, double *boxlo, double *prd);
-void dpd_gpu_update_coeff(int ntypes, double **host_a0, double **host_gamma,
+void dpd_tstat_gpu_update_coeff(int ntypes, double **host_a0, double **host_gamma,
                           double **host_sigma, double **host_cut);
-double dpd_gpu_bytes();
+double dpd_tstat_gpu_bytes();
 
 #define EPSILON 1.0e-10
 
@@ -223,7 +223,7 @@ PairDPDTstatGPU::PairDPDTstatGPU(LAMMPS *lmp) : PairDPDTstat(lmp),
 
 PairDPDTstatGPU::~PairDPDTstatGPU()
 {
-  dpd_gpu_clear();
+  dpd_tstat_gpu_clear();
 }
 
 /* ---------------------------------------------------------------------- */
@@ -243,7 +243,7 @@ void PairDPDTstatGPU::compute(int eflag, int vflag)
       for (int j = i; j <= atom->ntypes; j++)
         sigma[i][j] = sigma[j][i] = sqrt(2.0*boltz*temperature*gamma[i][j]);
 
-    dpd_gpu_update_coeff(atom->ntypes+1, a0, gamma, sigma, cut);
+    dpd_tstat_gpu_update_coeff(atom->ntypes+1, a0, gamma, sigma, cut);
   }
 
   int nall = atom->nlocal + atom->nghost;
@@ -266,7 +266,7 @@ void PairDPDTstatGPU::compute(int eflag, int vflag)
       domain->bbox(domain->sublo_lamda,domain->subhi_lamda,sublo,subhi);
     }
     inum = atom->nlocal;
-    firstneigh = dpd_gpu_compute_n(neighbor->ago, inum, nall, atom->x,
+    firstneigh = dpd_tstat_gpu_compute_n(neighbor->ago, inum, nall, atom->x,
                                    atom->type, sublo, subhi,
                                    atom->tag, atom->nspecial, atom->special,
                                    eflag, vflag, eflag_atom, vflag_atom,
@@ -279,7 +279,7 @@ void PairDPDTstatGPU::compute(int eflag, int vflag)
     ilist = list->ilist;
     numneigh = list->numneigh;
     firstneigh = list->firstneigh;
-    dpd_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type,
+    dpd_tstat_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type,
                     ilist, numneigh, firstneigh, eflag, vflag, eflag_atom,
                     vflag_atom, host_start, cpu_time, success,
                     atom->tag, atom->v, dtinvsqrt, seed,
@@ -325,8 +325,8 @@ void PairDPDTstatGPU::init_style()
   int maxspecial=0;
   if (atom->molecular)
     maxspecial=atom->maxspecial;
-  int success = dpd_gpu_init(atom->ntypes+1, cutsq, a0, gamma, sigma,
+  int success = dpd_tstat_gpu_init(atom->ntypes+1, cutsq, a0, gamma, sigma,
-                             cut, force->special_lj, true, atom->nlocal,
+                             cut, force->special_lj, atom->nlocal,
                              atom->nlocal+atom->nghost, 300, maxspecial,
                              cell_size, gpu_mode, screen);
   GPU_EXTRA::check_flag(success,error,world);
@@ -343,7 +343,7 @@ void PairDPDTstatGPU::init_style()
 double PairDPDTstatGPU::memory_usage()
 {
   double bytes = Pair::memory_usage();
-  return bytes + dpd_gpu_bytes();
+  return bytes + dpd_tstat_gpu_bytes();
 }
 
 /* ---------------------------------------------------------------------- */