diff --git a/lib/gpu/Nvidia.makefile b/lib/gpu/Nvidia.makefile index 1776cb44a9..2f65e49acb 100644 --- a/lib/gpu/Nvidia.makefile +++ b/lib/gpu/Nvidia.makefile @@ -33,7 +33,7 @@ NVD_H = $(wildcard ./geryon/nvd*.h) $(UCL_H) nv_kernel_def.h # Headers for Pair Stuff PAIR_H = pair_gpu_atom.h pair_gpu_ans.h pair_gpu_nbor_shared.h \ pair_gpu_nbor.h pair_gpu_precision.h pair_gpu_device.h \ - pair_gpu_balance.h pppm_gpu_memory.h + pair_gpu_balance.h pppm.h ALL_H = $(NVD_H) $(PAIR_H) @@ -45,20 +45,20 @@ OBJS = $(OBJ_DIR)/pair_gpu_atom.o $(OBJ_DIR)/pair_gpu_ans.o \ $(OBJ_DIR)/pair_gpu_nbor.o $(OBJ_DIR)/pair_gpu_nbor_shared.o \ $(OBJ_DIR)/pair_gpu_device.o $(OBJ_DIR)/atomic_gpu_memory.o \ $(OBJ_DIR)/charge_gpu_memory.o $(OBJ_DIR)/base_ellipsoid.o \ - $(OBJ_DIR)/pppm_gpu_memory.o $(OBJ_DIR)/pppm_l_gpu.o \ + $(OBJ_DIR)/pppm.o $(OBJ_DIR)/pppm_ext.o \ $(OBJ_DIR)/gayberne.o $(OBJ_DIR)/gayberne_ext.o \ $(OBJ_DIR)/re_squared.o $(OBJ_DIR)/re_squared_ext.o \ - $(OBJ_DIR)/lj_cut_gpu_memory.o $(OBJ_DIR)/lj_cut_gpu.o \ - $(OBJ_DIR)/lj96_cut_gpu_memory.o $(OBJ_DIR)/lj96_cut_gpu.o \ - $(OBJ_DIR)/lj_expand_gpu_memory.o $(OBJ_DIR)/lj_expand_gpu.o \ - $(OBJ_DIR)/ljc_cut_gpu_memory.o $(OBJ_DIR)/ljc_cut_gpu.o \ - $(OBJ_DIR)/ljcl_cut_gpu_memory.o $(OBJ_DIR)/ljcl_cut_gpu.o \ + $(OBJ_DIR)/lj.o $(OBJ_DIR)/lj_ext.o \ + $(OBJ_DIR)/lj96.o $(OBJ_DIR)/lj96_ext.o \ + $(OBJ_DIR)/lj_expand.o $(OBJ_DIR)/lj_expand_ext.o \ + $(OBJ_DIR)/lj_coul.o $(OBJ_DIR)/lj_coul_ext.o \ + $(OBJ_DIR)/lj_coul_long.o $(OBJ_DIR)/lj_coul_long_ext.o \ $(OBJ_DIR)/lj_class2_long.o $(OBJ_DIR)/lj_class2_long_ext.o \ - $(OBJ_DIR)/morse_gpu_memory.o $(OBJ_DIR)/morse_gpu.o \ - $(OBJ_DIR)/crml_gpu_memory.o $(OBJ_DIR)/crml_gpu.o \ - $(OBJ_DIR)/cmm_cut_gpu_memory.o $(OBJ_DIR)/cmm_cut_gpu.o \ - $(OBJ_DIR)/cmmc_long_gpu_memory.o $(OBJ_DIR)/cmmc_long_gpu.o \ - $(OBJ_DIR)/cmmc_msm_gpu_memory.o $(OBJ_DIR)/cmmc_msm_gpu.o \ + $(OBJ_DIR)/morse.o $(OBJ_DIR)/morse_ext.o \ + $(OBJ_DIR)/charmm_long.o $(OBJ_DIR)/charmm_long_ext.o \ + $(OBJ_DIR)/cg_cmm.o $(OBJ_DIR)/cg_cmm_ext.o \ + $(OBJ_DIR)/cg_cmm_long.o $(OBJ_DIR)/cg_cmm_long_ext.o \ + $(OBJ_DIR)/cg_cmm_msm.o $(OBJ_DIR)/cg_cmm_msm_ext.o \ $(CUDPP) PTXS = $(OBJ_DIR)/pair_gpu_dev_kernel.ptx \ $(OBJ_DIR)/pair_gpu_atom_kernel.ptx $(OBJ_DIR)/pair_gpu_atom_ptx.h \ @@ -70,17 +70,17 @@ PTXS = $(OBJ_DIR)/pair_gpu_dev_kernel.ptx \ $(OBJ_DIR)/gayberne.ptx $(OBJ_DIR)/gayberne_lj.ptx \ $(OBJ_DIR)/gayberne_ptx.h $(OBJ_DIR)/re_squared.ptx \ $(OBJ_DIR)/re_squared_lj.ptx $(OBJ_DIR)/re_squared_ptx.h \ - $(OBJ_DIR)/lj_cut_gpu_kernel.ptx $(OBJ_DIR)/lj_cut_gpu_ptx.h \ - $(OBJ_DIR)/lj96_cut_gpu_kernel.ptx $(OBJ_DIR)/lj96_cut_gpu_ptx.h \ - $(OBJ_DIR)/lj_expand_gpu_kernel.ptx $(OBJ_DIR)/lj_expand_gpu_ptx.h \ - $(OBJ_DIR)/ljc_cut_gpu_kernel.ptx $(OBJ_DIR)/ljc_cut_gpu_ptx.h \ - $(OBJ_DIR)/ljcl_cut_gpu_kernel.ptx $(OBJ_DIR)/ljcl_cut_gpu_ptx.h \ + $(OBJ_DIR)/lj.ptx $(OBJ_DIR)/lj_ext_ptx.h \ + $(OBJ_DIR)/lj96.ptx $(OBJ_DIR)/lj96_ext_ptx.h \ + $(OBJ_DIR)/lj_expand.ptx $(OBJ_DIR)/lj_expand_ext_ptx.h \ + $(OBJ_DIR)/lj_coul.ptx $(OBJ_DIR)/lj_coul_ext_ptx.h \ + $(OBJ_DIR)/lj_coul_long.ptx $(OBJ_DIR)/lj_coul_long_ext_ptx.h \ $(OBJ_DIR)/lj_class2_long.ptx $(OBJ_DIR)/lj_class2_long_ptx.h \ - $(OBJ_DIR)/morse_gpu_kernel.ptx $(OBJ_DIR)/morse_gpu_ptx.h \ - $(OBJ_DIR)/crml_gpu_kernel.ptx $(OBJ_DIR)/crml_gpu_ptx.h \ - $(OBJ_DIR)/cmm_cut_gpu_kernel.ptx $(OBJ_DIR)/cmm_cut_gpu_ptx.h \ - $(OBJ_DIR)/cmmc_long_gpu_kernel.ptx $(OBJ_DIR)/cmmc_long_gpu_ptx.h \ - $(OBJ_DIR)/cmmc_msm_gpu_kernel.ptx $(OBJ_DIR)/cmmc_msm_gpu_ptx.h + $(OBJ_DIR)/morse.ptx $(OBJ_DIR)/morse_ext_ptx.h \ + $(OBJ_DIR)/charmm_long.ptx $(OBJ_DIR)/charmm_long_ext_ptx.h \ + $(OBJ_DIR)/cg_cmm.ptx $(OBJ_DIR)/cg_cmm_ext_ptx.h \ + $(OBJ_DIR)/cg_cmm_long.ptx $(OBJ_DIR)/cg_cmm_long_ext_ptx.h \ + $(OBJ_DIR)/cg_cmm_msm.ptx $(OBJ_DIR)/cg_cmm_msm_ext_ptx.h all: $(GPU_LIB) $(EXECS) @@ -150,23 +150,23 @@ $(OBJ_DIR)/charge_gpu_memory.o: $(ALL_H) charge_gpu_memory.h charge_gpu_memory.c $(OBJ_DIR)/base_ellipsoid.o: $(ALL_H) base_ellipsoid.h base_ellipsoid.cpp $(OBJ_DIR)/ellipsoid_nbor_ptx.h $(CUDR) -o $@ -c base_ellipsoid.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/pppm_f_gpu_kernel.ptx: pppm_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -Dgrdtyp=float -Dgrdtyp4=float4 -o $@ pppm_gpu_kernel.cu +$(OBJ_DIR)/pppm_f_gpu_kernel.ptx: pppm.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -Dgrdtyp=float -Dgrdtyp4=float4 -o $@ pppm.cu $(OBJ_DIR)/pppm_f_gpu_ptx.h: $(OBJ_DIR)/pppm_f_gpu_kernel.ptx $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/pppm_f_gpu_kernel.ptx $(OBJ_DIR)/pppm_f_gpu_ptx.h -$(OBJ_DIR)/pppm_d_gpu_kernel.ptx: pppm_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -Dgrdtyp=double -Dgrdtyp4=double4 -o $@ pppm_gpu_kernel.cu +$(OBJ_DIR)/pppm_d_gpu_kernel.ptx: pppm.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -Dgrdtyp=double -Dgrdtyp4=double4 -o $@ pppm.cu $(OBJ_DIR)/pppm_d_gpu_ptx.h: $(OBJ_DIR)/pppm_d_gpu_kernel.ptx $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/pppm_d_gpu_kernel.ptx $(OBJ_DIR)/pppm_d_gpu_ptx.h -$(OBJ_DIR)/pppm_gpu_memory.o: $(ALL_H) pppm_gpu_memory.h pppm_gpu_memory.cpp $(OBJ_DIR)/pppm_f_gpu_ptx.h $(OBJ_DIR)/pppm_d_gpu_ptx.h - $(CUDR) -o $@ -c pppm_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/pppm.o: $(ALL_H) pppm.h pppm.cpp $(OBJ_DIR)/pppm_f_gpu_ptx.h $(OBJ_DIR)/pppm_d_gpu_ptx.h + $(CUDR) -o $@ -c pppm.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/pppm_l_gpu.o: $(ALL_H) pppm_gpu_memory.h pppm_l_gpu.cpp - $(CUDR) -o $@ -c pppm_l_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/pppm_ext.o: $(ALL_H) pppm.h pppm_ext.cpp + $(CUDR) -o $@ -c pppm_ext.cpp -I$(OBJ_DIR) $(OBJ_DIR)/ellipsoid_nbor.ptx: ellipsoid_nbor.cu pair_gpu_precision.h $(CUDA) --ptx -DNV_KERNEL -o $@ ellipsoid_nbor.cu @@ -204,29 +204,29 @@ $(OBJ_DIR)/re_squared.o: $(ALL_H) re_squared.h re_squared.cpp $(OBJ_DIR)/re_squa $(OBJ_DIR)/re_squared_ext.o: $(ALL_H) $(OBJ_DIR)/re_squared.o re_squared_ext.cpp $(CUDR) -o $@ -c re_squared_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_cut_gpu_kernel.ptx: lj_cut_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ lj_cut_gpu_kernel.cu +$(OBJ_DIR)/lj.ptx: lj.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ lj.cu -$(OBJ_DIR)/lj_cut_gpu_ptx.h: $(OBJ_DIR)/lj_cut_gpu_kernel.ptx $(OBJ_DIR)/lj_cut_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj_cut_gpu_kernel.ptx $(OBJ_DIR)/lj_cut_gpu_ptx.h +$(OBJ_DIR)/lj_ext_ptx.h: $(OBJ_DIR)/lj.ptx $(OBJ_DIR)/lj.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj.ptx $(OBJ_DIR)/lj_ext_ptx.h -$(OBJ_DIR)/lj_cut_gpu_memory.o: $(ALL_H) lj_cut_gpu_memory.h lj_cut_gpu_memory.cpp $(OBJ_DIR)/lj_cut_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c lj_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj.o: $(ALL_H) lj.h lj.cpp $(OBJ_DIR)/lj_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c lj.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_cut_gpu.o: $(ALL_H) lj_cut_gpu_memory.h lj_cut_gpu.cpp atomic_gpu_memory.h - $(CUDR) -o $@ -c lj_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_ext.o: $(ALL_H) lj.h lj_ext.cpp atomic_gpu_memory.h + $(CUDR) -o $@ -c lj_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljc_cut_gpu_kernel.ptx: ljc_cut_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ ljc_cut_gpu_kernel.cu +$(OBJ_DIR)/lj_coul.ptx: lj_coul.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ lj_coul.cu -$(OBJ_DIR)/ljc_cut_gpu_ptx.h: $(OBJ_DIR)/ljc_cut_gpu_kernel.ptx $(OBJ_DIR)/ljc_cut_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/ljc_cut_gpu_kernel.ptx $(OBJ_DIR)/ljc_cut_gpu_ptx.h +$(OBJ_DIR)/lj_coul_ext_ptx.h: $(OBJ_DIR)/lj_coul.ptx $(OBJ_DIR)/lj_coul.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj_coul.ptx $(OBJ_DIR)/lj_coul_ext_ptx.h -$(OBJ_DIR)/ljc_cut_gpu_memory.o: $(ALL_H) ljc_cut_gpu_memory.h ljc_cut_gpu_memory.cpp $(OBJ_DIR)/ljc_cut_gpu_ptx.h $(OBJ_DIR)/charge_gpu_memory.o - $(CUDR) -o $@ -c ljc_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul.o: $(ALL_H) lj_coul.h lj_coul.cpp $(OBJ_DIR)/lj_coul_ext_ptx.h $(OBJ_DIR)/charge_gpu_memory.o + $(CUDR) -o $@ -c lj_coul.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljc_cut_gpu.o: $(ALL_H) ljc_cut_gpu_memory.h ljc_cut_gpu.cpp charge_gpu_memory.h - $(CUDR) -o $@ -c ljc_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul_ext.o: $(ALL_H) lj_coul.h lj_coul_ext.cpp charge_gpu_memory.h + $(CUDR) -o $@ -c lj_coul_ext.cpp -I$(OBJ_DIR) $(OBJ_DIR)/lj_class2_long.ptx: lj_class2_long.cu pair_gpu_precision.h $(CUDA) --ptx -DNV_KERNEL -o $@ lj_class2_long.cu @@ -240,101 +240,101 @@ $(OBJ_DIR)/lj_class2_long.o: $(ALL_H) lj_class2_long.h lj_class2_long.cpp $(OBJ_ $(OBJ_DIR)/lj_class2_long_ext.o: $(ALL_H) lj_class2_long.h lj_class2_long_ext.cpp charge_gpu_memory.h $(CUDR) -o $@ -c lj_class2_long_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljcl_cut_gpu_kernel.ptx: ljcl_cut_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ ljcl_cut_gpu_kernel.cu +$(OBJ_DIR)/lj_coul_long.ptx: lj_coul_long.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ lj_coul_long.cu -$(OBJ_DIR)/ljcl_cut_gpu_ptx.h: $(OBJ_DIR)/ljcl_cut_gpu_kernel.ptx $(OBJ_DIR)/ljcl_cut_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/ljcl_cut_gpu_kernel.ptx $(OBJ_DIR)/ljcl_cut_gpu_ptx.h +$(OBJ_DIR)/lj_coul_long_ext_ptx.h: $(OBJ_DIR)/lj_coul_long.ptx $(OBJ_DIR)/lj_coul_long.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj_coul_long.ptx $(OBJ_DIR)/lj_coul_long_ext_ptx.h -$(OBJ_DIR)/ljcl_cut_gpu_memory.o: $(ALL_H) ljcl_cut_gpu_memory.h ljcl_cut_gpu_memory.cpp $(OBJ_DIR)/ljcl_cut_gpu_ptx.h $(OBJ_DIR)/charge_gpu_memory.o - $(CUDR) -o $@ -c ljcl_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul_long.o: $(ALL_H) lj_coul_long.h lj_coul_long.cpp $(OBJ_DIR)/lj_coul_long_ext_ptx.h $(OBJ_DIR)/charge_gpu_memory.o + $(CUDR) -o $@ -c lj_coul_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljcl_cut_gpu.o: $(ALL_H) ljcl_cut_gpu_memory.h ljcl_cut_gpu.cpp charge_gpu_memory.h - $(CUDR) -o $@ -c ljcl_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul_long_ext.o: $(ALL_H) lj_coul_long.h lj_coul_long_ext.cpp charge_gpu_memory.h + $(CUDR) -o $@ -c lj_coul_long_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/morse_gpu_kernel.ptx: morse_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ morse_gpu_kernel.cu +$(OBJ_DIR)/morse.ptx: morse.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ morse.cu -$(OBJ_DIR)/morse_gpu_ptx.h: $(OBJ_DIR)/morse_gpu_kernel.ptx $(OBJ_DIR)/morse_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/morse_gpu_kernel.ptx $(OBJ_DIR)/morse_gpu_ptx.h +$(OBJ_DIR)/morse_ext_ptx.h: $(OBJ_DIR)/morse.ptx $(OBJ_DIR)/morse.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/morse.ptx $(OBJ_DIR)/morse_ext_ptx.h -$(OBJ_DIR)/morse_gpu_memory.o: $(ALL_H) morse_gpu_memory.h morse_gpu_memory.cpp $(OBJ_DIR)/morse_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c morse_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/morse.o: $(ALL_H) morse.h morse.cpp $(OBJ_DIR)/morse_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c morse.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/morse_gpu.o: $(ALL_H) morse_gpu_memory.h morse_gpu.cpp atomic_gpu_memory.h - $(CUDR) -o $@ -c morse_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/morse_ext.o: $(ALL_H) morse.h morse_ext.cpp atomic_gpu_memory.h + $(CUDR) -o $@ -c morse_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/crml_gpu_kernel.ptx: crml_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ crml_gpu_kernel.cu +$(OBJ_DIR)/charmm_long.ptx: charmm_long.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ charmm_long.cu -$(OBJ_DIR)/crml_gpu_ptx.h: $(OBJ_DIR)/crml_gpu_kernel.ptx $(OBJ_DIR)/crml_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/crml_gpu_kernel.ptx $(OBJ_DIR)/crml_gpu_ptx.h +$(OBJ_DIR)/charmm_long_ext_ptx.h: $(OBJ_DIR)/charmm_long.ptx $(OBJ_DIR)/charmm_long.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/charmm_long.ptx $(OBJ_DIR)/charmm_long_ext_ptx.h -$(OBJ_DIR)/crml_gpu_memory.o: $(ALL_H) crml_gpu_memory.h crml_gpu_memory.cpp $(OBJ_DIR)/crml_gpu_ptx.h $(OBJ_DIR)/charge_gpu_memory.o - $(CUDR) -o $@ -c crml_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/charmm_long.o: $(ALL_H) charmm_long.h charmm_long.cpp $(OBJ_DIR)/charmm_long_ext_ptx.h $(OBJ_DIR)/charge_gpu_memory.o + $(CUDR) -o $@ -c charmm_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/crml_gpu.o: $(ALL_H) crml_gpu_memory.h crml_gpu.cpp charge_gpu_memory.h - $(CUDR) -o $@ -c crml_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/charmm_long_ext.o: $(ALL_H) charmm_long.h charmm_long_ext.cpp charge_gpu_memory.h + $(CUDR) -o $@ -c charmm_long_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj96_cut_gpu_kernel.ptx: lj96_cut_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ lj96_cut_gpu_kernel.cu +$(OBJ_DIR)/lj96.ptx: lj96.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ lj96.cu -$(OBJ_DIR)/lj96_cut_gpu_ptx.h: $(OBJ_DIR)/lj96_cut_gpu_kernel.ptx $(OBJ_DIR)/lj96_cut_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj96_cut_gpu_kernel.ptx $(OBJ_DIR)/lj96_cut_gpu_ptx.h +$(OBJ_DIR)/lj96_ext_ptx.h: $(OBJ_DIR)/lj96.ptx $(OBJ_DIR)/lj96.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj96.ptx $(OBJ_DIR)/lj96_ext_ptx.h -$(OBJ_DIR)/lj96_cut_gpu_memory.o: $(ALL_H) lj96_cut_gpu_memory.h lj96_cut_gpu_memory.cpp $(OBJ_DIR)/lj96_cut_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c lj96_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj96.o: $(ALL_H) lj96.h lj96.cpp $(OBJ_DIR)/lj96_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c lj96.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj96_cut_gpu.o: $(ALL_H) lj96_cut_gpu_memory.h lj96_cut_gpu.cpp atomic_gpu_memory.h - $(CUDR) -o $@ -c lj96_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj96_ext.o: $(ALL_H) lj96.h lj96_ext.cpp atomic_gpu_memory.h + $(CUDR) -o $@ -c lj96_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_expand_gpu_kernel.ptx: lj_expand_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ lj_expand_gpu_kernel.cu +$(OBJ_DIR)/lj_expand.ptx: lj_expand.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ lj_expand.cu -$(OBJ_DIR)/lj_expand_gpu_ptx.h: $(OBJ_DIR)/lj_expand_gpu_kernel.ptx $(OBJ_DIR)/lj_expand_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj_expand_gpu_kernel.ptx $(OBJ_DIR)/lj_expand_gpu_ptx.h +$(OBJ_DIR)/lj_expand_ext_ptx.h: $(OBJ_DIR)/lj_expand.ptx $(OBJ_DIR)/lj_expand.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/lj_expand.ptx $(OBJ_DIR)/lj_expand_ext_ptx.h -$(OBJ_DIR)/lj_expand_gpu_memory.o: $(ALL_H) lj_expand_gpu_memory.h lj_expand_gpu_memory.cpp $(OBJ_DIR)/lj_expand_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c lj_expand_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_expand.o: $(ALL_H) lj_expand.h lj_expand.cpp $(OBJ_DIR)/lj_expand_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c lj_expand.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_expand_gpu.o: $(ALL_H) lj_expand_gpu_memory.h lj_expand_gpu.cpp atomic_gpu_memory.h - $(CUDR) -o $@ -c lj_expand_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_expand_ext.o: $(ALL_H) lj_expand.h lj_expand_ext.cpp atomic_gpu_memory.h + $(CUDR) -o $@ -c lj_expand_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmm_cut_gpu_kernel.ptx: cmm_cut_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ cmm_cut_gpu_kernel.cu +$(OBJ_DIR)/cg_cmm.ptx: cg_cmm.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ cg_cmm.cu -$(OBJ_DIR)/cmm_cut_gpu_ptx.h: $(OBJ_DIR)/cmm_cut_gpu_kernel.ptx $(OBJ_DIR)/cmm_cut_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/cmm_cut_gpu_kernel.ptx $(OBJ_DIR)/cmm_cut_gpu_ptx.h +$(OBJ_DIR)/cg_cmm_ext_ptx.h: $(OBJ_DIR)/cg_cmm.ptx $(OBJ_DIR)/cg_cmm.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/cg_cmm.ptx $(OBJ_DIR)/cg_cmm_ext_ptx.h -$(OBJ_DIR)/cmm_cut_gpu_memory.o: $(ALL_H) cmm_cut_gpu_memory.h cmm_cut_gpu_memory.cpp $(OBJ_DIR)/cmm_cut_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c cmm_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm.o: $(ALL_H) cg_cmm.h cg_cmm.cpp $(OBJ_DIR)/cg_cmm_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c cg_cmm.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmm_cut_gpu.o: $(ALL_H) cmm_cut_gpu_memory.h cmm_cut_gpu.cpp atomic_gpu_memory.h - $(CUDR) -o $@ -c cmm_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_ext.o: $(ALL_H) cg_cmm.h cg_cmm_ext.cpp atomic_gpu_memory.h + $(CUDR) -o $@ -c cg_cmm_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmmc_long_gpu_kernel.ptx: cmmc_long_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ cmmc_long_gpu_kernel.cu +$(OBJ_DIR)/cg_cmm_long.ptx: cg_cmm_long.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ cg_cmm_long.cu -$(OBJ_DIR)/cmmc_long_gpu_ptx.h: $(OBJ_DIR)/cmmc_long_gpu_kernel.ptx $(OBJ_DIR)/cmmc_long_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/cmmc_long_gpu_kernel.ptx $(OBJ_DIR)/cmmc_long_gpu_ptx.h +$(OBJ_DIR)/cg_cmm_long_ext_ptx.h: $(OBJ_DIR)/cg_cmm_long.ptx $(OBJ_DIR)/cg_cmm_long.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/cg_cmm_long.ptx $(OBJ_DIR)/cg_cmm_long_ext_ptx.h -$(OBJ_DIR)/cmmc_long_gpu_memory.o: $(ALL_H) cmmc_long_gpu_memory.h cmmc_long_gpu_memory.cpp $(OBJ_DIR)/cmmc_long_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c cmmc_long_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_long.o: $(ALL_H) cg_cmm_long.h cg_cmm_long.cpp $(OBJ_DIR)/cg_cmm_long_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c cg_cmm_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmmc_long_gpu.o: $(ALL_H) cmmc_long_gpu_memory.h cmmc_long_gpu.cpp charge_gpu_memory.h - $(CUDR) -o $@ -c cmmc_long_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_long_ext.o: $(ALL_H) cg_cmm_long.h cg_cmm_long_ext.cpp charge_gpu_memory.h + $(CUDR) -o $@ -c cg_cmm_long_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmmc_msm_gpu_kernel.ptx: cmmc_msm_gpu_kernel.cu pair_gpu_precision.h - $(CUDA) --ptx -DNV_KERNEL -o $@ cmmc_msm_gpu_kernel.cu +$(OBJ_DIR)/cg_cmm_msm.ptx: cg_cmm_msm.cu pair_gpu_precision.h + $(CUDA) --ptx -DNV_KERNEL -o $@ cg_cmm_msm.cu -$(OBJ_DIR)/cmmc_msm_gpu_ptx.h: $(OBJ_DIR)/cmmc_msm_gpu_kernel.ptx $(OBJ_DIR)/cmmc_msm_gpu_kernel.ptx - $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/cmmc_msm_gpu_kernel.ptx $(OBJ_DIR)/cmmc_msm_gpu_ptx.h +$(OBJ_DIR)/cg_cmm_msm_ext_ptx.h: $(OBJ_DIR)/cg_cmm_msm.ptx $(OBJ_DIR)/cg_cmm_msm.ptx + $(BSH) ./geryon/file_to_cstr.sh $(OBJ_DIR)/cg_cmm_msm.ptx $(OBJ_DIR)/cg_cmm_msm_ext_ptx.h -$(OBJ_DIR)/cmmc_msm_gpu_memory.o: $(ALL_H) cmmc_msm_gpu_memory.h cmmc_msm_gpu_memory.cpp $(OBJ_DIR)/cmmc_msm_gpu_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o - $(CUDR) -o $@ -c cmmc_msm_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_msm.o: $(ALL_H) cg_cmm_msm.h cg_cmm_msm.cpp $(OBJ_DIR)/cg_cmm_msm_ext_ptx.h $(OBJ_DIR)/atomic_gpu_memory.o + $(CUDR) -o $@ -c cg_cmm_msm.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmmc_msm_gpu.o: $(ALL_H) cmmc_msm_gpu_memory.h cmmc_msm_gpu.cpp charge_gpu_memory.h - $(CUDR) -o $@ -c cmmc_msm_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_msm_ext.o: $(ALL_H) cg_cmm_msm.h cg_cmm_msm_ext.cpp charge_gpu_memory.h + $(CUDR) -o $@ -c cg_cmm_msm_ext.cpp -I$(OBJ_DIR) $(BIN_DIR)/nvc_get_devices: ./geryon/ucl_get_devices.cpp $(NVC_H) $(CUDR) -o $@ ./geryon/ucl_get_devices.cpp -DUCL_CUDART $(CUDA_LINK) diff --git a/lib/gpu/Opencl.makefile b/lib/gpu/Opencl.makefile index 26f5fdc19c..3abe63bd91 100644 --- a/lib/gpu/Opencl.makefile +++ b/lib/gpu/Opencl.makefile @@ -26,7 +26,7 @@ OCL_H = $(wildcard ./geryon/ocl*.h) $(UCL_H) # Headers for Pair Stuff PAIR_H = pair_gpu_atom.h pair_gpu_ans.h pair_gpu_nbor_shared.h \ pair_gpu_nbor.h pair_gpu_precision.h pair_gpu_device.h \ - pair_gpu_balance.h pppm_gpu_memory.h + pair_gpu_balance.h pppm.h ALL_H = $(OCL_H) $(PAIR_H) @@ -35,29 +35,29 @@ OBJS = $(OBJ_DIR)/pair_gpu_atom.o $(OBJ_DIR)/pair_gpu_ans.o \ $(OBJ_DIR)/pair_gpu_nbor_shared.o $(OBJ_DIR)/pair_gpu_nbor.o \ $(OBJ_DIR)/pair_gpu_device.o $(OBJ_DIR)/atomic_gpu_memory.o \ $(OBJ_DIR)/charge_gpu_memory.o $(OBJ_DIR)/base_ellipsoid.o \ - $(OBJ_DIR)/pppm_gpu_memory.o $(OBJ_DIR)/pppm_l_gpu.o \ + $(OBJ_DIR)/pppm.o $(OBJ_DIR)/pppm_ext.o \ $(OBJ_DIR)/gayberne.o $(OBJ_DIR)/gayberne_ext.o \ $(OBJ_DIR)/re_squared.o $(OBJ_DIR)/re_squared_ext.o \ - $(OBJ_DIR)/lj_cut_gpu_memory.o $(OBJ_DIR)/lj_cut_gpu.o \ - $(OBJ_DIR)/lj96_cut_gpu_memory.o $(OBJ_DIR)/lj96_cut_gpu.o \ - $(OBJ_DIR)/lj_expand_gpu_memory.o $(OBJ_DIR)/lj_expand_gpu.o \ - $(OBJ_DIR)/ljc_cut_gpu_memory.o $(OBJ_DIR)/ljc_cut_gpu.o \ - $(OBJ_DIR)/ljcl_cut_gpu_memory.o $(OBJ_DIR)/ljcl_cut_gpu.o \ + $(OBJ_DIR)/lj.o $(OBJ_DIR)/lj_ext.o \ + $(OBJ_DIR)/lj96.o $(OBJ_DIR)/lj96_ext.o \ + $(OBJ_DIR)/lj_expand.o $(OBJ_DIR)/lj_expand_ext.o \ + $(OBJ_DIR)/lj_coul.o $(OBJ_DIR)/lj_coul_ext.o \ + $(OBJ_DIR)/lj_coul_long.o $(OBJ_DIR)/lj_coul_long_ext.o \ $(OBJ_DIR)/lj_class2_long.o $(OBJ_DIR)/lj_class2_long_ext.o \ - $(OBJ_DIR)/morse_gpu_memory.o $(OBJ_DIR)/morse_gpu.o \ - $(OBJ_DIR)/crml_gpu_memory.o $(OBJ_DIR)/crml_gpu.o \ - $(OBJ_DIR)/cmm_cut_gpu_memory.o $(OBJ_DIR)/cmm_cut_gpu.o \ - $(OBJ_DIR)/cmmc_long_gpu_memory.o $(OBJ_DIR)/cmmc_long_gpu.o + $(OBJ_DIR)/morse.o $(OBJ_DIR)/morse_ext.o \ + $(OBJ_DIR)/charmm_long.o $(OBJ_DIR)/charmm_long_ext.o \ + $(OBJ_DIR)/cg_cmm.o $(OBJ_DIR)/cg_cmm_ext.o \ + $(OBJ_DIR)/cg_cmm_long.o $(OBJ_DIR)/cg_cmm_long_ext.o KERS = $(OBJ_DIR)/pair_gpu_dev_cl.h $(OBJ_DIR)/pair_gpu_atom_cl.h \ $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/pppm_gpu_cl.h \ $(OBJ_DIR)/ellipsoid_nbor_cl.h $(OBJ_DIR)/gayberne_cl.h \ $(OBJ_DIR)/re_squared_cl.h \ - $(OBJ_DIR)/lj_cut_gpu_cl.h $(OBJ_DIR)/lj96_cut_gpu_cl.h \ - $(OBJ_DIR)/lj_expand_gpu_cl.h $(OBJ_DIR)/ljc_cut_gpu_cl.h \ - $(OBJ_DIR)/ljcl_cut_gpu_cl.h $(OBJ_DIR)/lj_class2_long_cl.h \ - $(OBJ_DIR)/morse_gpu_cl.h \ - $(OBJ_DIR)/crml_gpu_cl.h $(OBJ_DIR)/cmm_cut_gpu_cl.h \ - $(OBJ_DIR)/cmmc_long_gpu_cl.h + $(OBJ_DIR)/lj_ext_cl.h $(OBJ_DIR)/lj96_ext_cl.h \ + $(OBJ_DIR)/lj_expand_ext_cl.h $(OBJ_DIR)/lj_coul_ext_cl.h \ + $(OBJ_DIR)/lj_coul_long_ext_cl.h $(OBJ_DIR)/lj_class2_long_cl.h \ + $(OBJ_DIR)/morse_ext_cl.h \ + $(OBJ_DIR)/charmm_long_ext_cl.h $(OBJ_DIR)/cg_cmm_ext_cl.h \ + $(OBJ_DIR)/cg_cmm_long_ext_cl.h OCL_EXECS = $(BIN_DIR)/ocl_get_devices @@ -96,14 +96,14 @@ $(OBJ_DIR)/charge_gpu_memory.o: $(OCL_H) charge_gpu_memory.h charge_gpu_memory.c $(OBJ_DIR)/base_ellipsoid.o: $(OCL_H) base_ellipsoid.h base_ellipsoid.cpp $(OBJ_DIR)/ellipsoid_nbor_cl.h $(OCL) -o $@ -c base_ellipsoid.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/pppm_gpu_cl.h: pppm_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh pppm_gpu_kernel.cu $(OBJ_DIR)/pppm_gpu_cl.h; +$(OBJ_DIR)/pppm_gpu_cl.h: pppm.cu + $(BSH) ./geryon/file_to_cstr.sh pppm.cu $(OBJ_DIR)/pppm_gpu_cl.h; -$(OBJ_DIR)/pppm_gpu_memory.o: $(ALL_H) pppm_gpu_memory.h pppm_gpu_memory.cpp $(OBJ_DIR)/pppm_gpu_cl.h $(OBJ_DIR)/pppm_gpu_cl.h - $(OCL) -o $@ -c pppm_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/pppm.o: $(ALL_H) pppm.h pppm.cpp $(OBJ_DIR)/pppm_gpu_cl.h $(OBJ_DIR)/pppm_gpu_cl.h + $(OCL) -o $@ -c pppm.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/pppm_l_gpu.o: $(ALL_H) pppm_gpu_memory.h pppm_l_gpu.cpp - $(OCL) -o $@ -c pppm_l_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/pppm_ext.o: $(ALL_H) pppm.h pppm_ext.cpp + $(OCL) -o $@ -c pppm_ext.cpp -I$(OBJ_DIR) $(OBJ_DIR)/ellipsoid_nbor_cl.h: ellipsoid_nbor.cu $(BSH) ./geryon/file_to_cstr.sh ellipsoid_nbor.cu $(OBJ_DIR)/ellipsoid_nbor_cl.h @@ -132,32 +132,32 @@ $(OBJ_DIR)/re_squared.o: $(ALL_H) re_squared.h re_squared.cpp $(OBJ_DIR)/re_squa $(OBJ_DIR)/re_squared_ext.o: $(ALL_H) $(OBJ_DIR)/re_squared.o re_squared_ext.cpp $(OCL) -o $@ -c re_squared_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_cut_gpu_cl.h: lj_cut_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh lj_cut_gpu_kernel.cu $(OBJ_DIR)/lj_cut_gpu_cl.h; +$(OBJ_DIR)/lj_ext_cl.h: lj.cu + $(BSH) ./geryon/file_to_cstr.sh lj.cu $(OBJ_DIR)/lj_ext_cl.h; -$(OBJ_DIR)/lj_cut_gpu_memory.o: $(ALL_H) lj_cut_gpu_memory.h lj_cut_gpu_memory.cpp $(OBJ_DIR)/lj_cut_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj_cut_gpu_cl.h $(OBJ_DIR)/atomic_gpu_memory.o - $(OCL) -o $@ -c lj_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj.o: $(ALL_H) lj.h lj.cpp $(OBJ_DIR)/lj_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj_ext_cl.h $(OBJ_DIR)/atomic_gpu_memory.o + $(OCL) -o $@ -c lj.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_cut_gpu.o: $(ALL_H) lj_cut_gpu_memory.h lj_cut_gpu.cpp atomic_gpu_memory.h - $(OCL) -o $@ -c lj_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_ext.o: $(ALL_H) lj.h lj_ext.cpp atomic_gpu_memory.h + $(OCL) -o $@ -c lj_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljc_cut_gpu_cl.h: ljc_cut_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh ljc_cut_gpu_kernel.cu $(OBJ_DIR)/ljc_cut_gpu_cl.h; +$(OBJ_DIR)/lj_coul_ext_cl.h: lj_coul.cu + $(BSH) ./geryon/file_to_cstr.sh lj_coul.cu $(OBJ_DIR)/lj_coul_ext_cl.h; -$(OBJ_DIR)/ljc_cut_gpu_memory.o: $(ALL_H) ljc_cut_gpu_memory.h ljc_cut_gpu_memory.cpp $(OBJ_DIR)/ljc_cut_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/ljc_cut_gpu_cl.h $(OBJ_DIR)/charge_gpu_memory.o - $(OCL) -o $@ -c ljc_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul.o: $(ALL_H) lj_coul.h lj_coul.cpp $(OBJ_DIR)/lj_coul_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj_coul_ext_cl.h $(OBJ_DIR)/charge_gpu_memory.o + $(OCL) -o $@ -c lj_coul.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljc_cut_gpu.o: $(ALL_H) ljc_cut_gpu_memory.h ljc_cut_gpu.cpp charge_gpu_memory.h - $(OCL) -o $@ -c ljc_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul_ext.o: $(ALL_H) lj_coul.h lj_coul_ext.cpp charge_gpu_memory.h + $(OCL) -o $@ -c lj_coul_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljcl_cut_gpu_cl.h: ljcl_cut_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh ljcl_cut_gpu_kernel.cu $(OBJ_DIR)/ljcl_cut_gpu_cl.h; +$(OBJ_DIR)/lj_coul_long_ext_cl.h: lj_coul_long.cu + $(BSH) ./geryon/file_to_cstr.sh lj_coul_long.cu $(OBJ_DIR)/lj_coul_long_ext_cl.h; -$(OBJ_DIR)/ljcl_cut_gpu_memory.o: $(ALL_H) ljcl_cut_gpu_memory.h ljcl_cut_gpu_memory.cpp $(OBJ_DIR)/ljcl_cut_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/charge_gpu_memory.o - $(OCL) -o $@ -c ljcl_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul_long.o: $(ALL_H) lj_coul_long.h lj_coul_long.cpp $(OBJ_DIR)/lj_coul_long_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/charge_gpu_memory.o + $(OCL) -o $@ -c lj_coul_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/ljcl_cut_gpu.o: $(ALL_H) ljcl_cut_gpu_memory.h ljcl_cut_gpu.cpp charge_gpu_memory.h - $(OCL) -o $@ -c ljcl_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_coul_long_ext.o: $(ALL_H) lj_coul_long.h lj_coul_long_ext.cpp charge_gpu_memory.h + $(OCL) -o $@ -c lj_coul_long_ext.cpp -I$(OBJ_DIR) $(OBJ_DIR)/lj_class2_long_cl.h: lj_class2_long.cu $(BSH) ./geryon/file_to_cstr.sh lj_class2_long.cu $(OBJ_DIR)/lj_class2_long_cl.h; @@ -168,59 +168,59 @@ $(OBJ_DIR)/lj_class2_long.o: $(ALL_H) lj_class2_long.h lj_class2_long.cpp $(OBJ $(OBJ_DIR)/lj_class2_long_ext.o: $(ALL_H) lj_class2_long.h lj_class2_long_ext.cpp charge_gpu_memory.h $(OCL) -o $@ -c lj_class2_long_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/morse_gpu_cl.h: morse_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh morse_gpu_kernel.cu $(OBJ_DIR)/morse_gpu_cl.h; +$(OBJ_DIR)/morse_ext_cl.h: morse.cu + $(BSH) ./geryon/file_to_cstr.sh morse.cu $(OBJ_DIR)/morse_ext_cl.h; -$(OBJ_DIR)/morse_gpu_memory.o: $(ALL_H) morse_gpu_memory.h morse_gpu_memory.cpp $(OBJ_DIR)/morse_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/morse_gpu_cl.h $(OBJ_DIR)/atomic_gpu_memory.o - $(OCL) -o $@ -c morse_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/morse.o: $(ALL_H) morse.h morse.cpp $(OBJ_DIR)/morse_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/morse_ext_cl.h $(OBJ_DIR)/atomic_gpu_memory.o + $(OCL) -o $@ -c morse.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/morse_gpu.o: $(ALL_H) morse_gpu_memory.h morse_gpu.cpp atomic_gpu_memory.h - $(OCL) -o $@ -c morse_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/morse_ext.o: $(ALL_H) morse.h morse_ext.cpp atomic_gpu_memory.h + $(OCL) -o $@ -c morse_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/crml_gpu_cl.h: crml_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh crml_gpu_kernel.cu $(OBJ_DIR)/crml_gpu_cl.h; +$(OBJ_DIR)/charmm_long_ext_cl.h: charmm_long.cu + $(BSH) ./geryon/file_to_cstr.sh charmm_long.cu $(OBJ_DIR)/charmm_long_ext_cl.h; -$(OBJ_DIR)/crml_gpu_memory.o: $(ALL_H) crml_gpu_memory.h crml_gpu_memory.cpp $(OBJ_DIR)/crml_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/crml_gpu_cl.h $(OBJ_DIR)/charge_gpu_memory.o - $(OCL) -o $@ -c crml_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/charmm_long.o: $(ALL_H) charmm_long.h charmm_long.cpp $(OBJ_DIR)/charmm_long_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/charmm_long_ext_cl.h $(OBJ_DIR)/charge_gpu_memory.o + $(OCL) -o $@ -c charmm_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/crml_gpu.o: $(ALL_H) crml_gpu_memory.h crml_gpu.cpp charge_gpu_memory.h - $(OCL) -o $@ -c crml_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/charmm_long_ext.o: $(ALL_H) charmm_long.h charmm_long_ext.cpp charge_gpu_memory.h + $(OCL) -o $@ -c charmm_long_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj96_cut_gpu_cl.h: lj96_cut_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh lj96_cut_gpu_kernel.cu $(OBJ_DIR)/lj96_cut_gpu_cl.h; +$(OBJ_DIR)/lj96_ext_cl.h: lj96.cu + $(BSH) ./geryon/file_to_cstr.sh lj96.cu $(OBJ_DIR)/lj96_ext_cl.h; -$(OBJ_DIR)/lj96_cut_gpu_memory.o: $(ALL_H) lj96_cut_gpu_memory.h lj96_cut_gpu_memory.cpp $(OBJ_DIR)/lj96_cut_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj96_cut_gpu_cl.h $(OBJ_DIR)/atomic_gpu_memory.o - $(OCL) -o $@ -c lj96_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj96.o: $(ALL_H) lj96.h lj96.cpp $(OBJ_DIR)/lj96_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj96_ext_cl.h $(OBJ_DIR)/atomic_gpu_memory.o + $(OCL) -o $@ -c lj96.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj96_cut_gpu.o: $(ALL_H) lj96_cut_gpu_memory.h lj96_cut_gpu.cpp atomic_gpu_memory.h - $(OCL) -o $@ -c lj96_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj96_ext.o: $(ALL_H) lj96.h lj96_ext.cpp atomic_gpu_memory.h + $(OCL) -o $@ -c lj96_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_expand_gpu_cl.h: lj_expand_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh lj_expand_gpu_kernel.cu $(OBJ_DIR)/lj_expand_gpu_cl.h; +$(OBJ_DIR)/lj_expand_ext_cl.h: lj_expand.cu + $(BSH) ./geryon/file_to_cstr.sh lj_expand.cu $(OBJ_DIR)/lj_expand_ext_cl.h; -$(OBJ_DIR)/lj_expand_gpu_memory.o: $(ALL_H) lj_expand_gpu_memory.h lj_expand_gpu_memory.cpp $(OBJ_DIR)/lj_expand_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj_expand_gpu_cl.h $(OBJ_DIR)/atomic_gpu_memory.o - $(OCL) -o $@ -c lj_expand_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_expand.o: $(ALL_H) lj_expand.h lj_expand.cpp $(OBJ_DIR)/lj_expand_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/lj_expand_ext_cl.h $(OBJ_DIR)/atomic_gpu_memory.o + $(OCL) -o $@ -c lj_expand.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lj_expand_gpu.o: $(ALL_H) lj_expand_gpu_memory.h lj_expand_gpu.cpp atomic_gpu_memory.h - $(OCL) -o $@ -c lj_expand_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lj_expand_ext.o: $(ALL_H) lj_expand.h lj_expand_ext.cpp atomic_gpu_memory.h + $(OCL) -o $@ -c lj_expand_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmm_cut_gpu_cl.h: cmm_cut_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh cmm_cut_gpu_kernel.cu $(OBJ_DIR)/cmm_cut_gpu_cl.h; +$(OBJ_DIR)/cg_cmm_ext_cl.h: cg_cmm.cu + $(BSH) ./geryon/file_to_cstr.sh cg_cmm.cu $(OBJ_DIR)/cg_cmm_ext_cl.h; -$(OBJ_DIR)/cmm_cut_gpu_memory.o: $(ALL_H) cmm_cut_gpu_memory.h cmm_cut_gpu_memory.cpp $(OBJ_DIR)/cmm_cut_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/cmm_cut_gpu_cl.h $(OBJ_DIR)/atomic_gpu_memory.o - $(OCL) -o $@ -c cmm_cut_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm.o: $(ALL_H) cg_cmm.h cg_cmm.cpp $(OBJ_DIR)/cg_cmm_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/cg_cmm_ext_cl.h $(OBJ_DIR)/atomic_gpu_memory.o + $(OCL) -o $@ -c cg_cmm.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmm_cut_gpu.o: $(ALL_H) cmm_cut_gpu_memory.h cmm_cut_gpu.cpp atomic_gpu_memory.h - $(OCL) -o $@ -c cmm_cut_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_ext.o: $(ALL_H) cg_cmm.h cg_cmm_ext.cpp atomic_gpu_memory.h + $(OCL) -o $@ -c cg_cmm_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmmc_long_gpu_cl.h: cmmc_long_gpu_kernel.cu - $(BSH) ./geryon/file_to_cstr.sh cmmc_long_gpu_kernel.cu $(OBJ_DIR)/cmmc_long_gpu_cl.h; +$(OBJ_DIR)/cg_cmm_long_ext_cl.h: cg_cmm_long.cu + $(BSH) ./geryon/file_to_cstr.sh cg_cmm_long.cu $(OBJ_DIR)/cg_cmm_long_ext_cl.h; -$(OBJ_DIR)/cmmc_long_gpu_memory.o: $(ALL_H) cmmc_long_gpu_memory.h cmmc_long_gpu_memory.cpp $(OBJ_DIR)/cmmc_long_gpu_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/cmmc_long_gpu_cl.h $(OBJ_DIR)/atomic_gpu_memory.o - $(OCL) -o $@ -c cmmc_long_gpu_memory.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_long.o: $(ALL_H) cg_cmm_long.h cg_cmm_long.cpp $(OBJ_DIR)/cg_cmm_long_ext_cl.h $(OBJ_DIR)/pair_gpu_nbor_cl.h $(OBJ_DIR)/cg_cmm_long_ext_cl.h $(OBJ_DIR)/atomic_gpu_memory.o + $(OCL) -o $@ -c cg_cmm_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cmmc_long_gpu.o: $(ALL_H) cmmc_long_gpu_memory.h cmmc_long_gpu.cpp charge_gpu_memory.h - $(OCL) -o $@ -c cmmc_long_gpu.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/cg_cmm_long_ext.o: $(ALL_H) cg_cmm_long.h cg_cmm_long_ext.cpp charge_gpu_memory.h + $(OCL) -o $@ -c cg_cmm_long_ext.cpp -I$(OBJ_DIR) $(BIN_DIR)/ocl_get_devices: ./geryon/ucl_get_devices.cpp $(OCL) -o $@ ./geryon/ucl_get_devices.cpp -DUCL_OPENCL $(OCL_LINK) diff --git a/lib/gpu/cmm_cut_gpu_memory.cpp b/lib/gpu/cg_cmm.cpp similarity index 97% rename from lib/gpu/cmm_cut_gpu_memory.cpp rename to lib/gpu/cg_cmm.cpp index 8d18c99d7c..370acbc5e1 100644 --- a/lib/gpu/cmm_cut_gpu_memory.cpp +++ b/lib/gpu/cg_cmm.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "cmm_cut_gpu_cl.h" +#include "cg_cmm_ext_cl.h" #else -#include "cmm_cut_gpu_ptx.h" +#include "cg_cmm_ext_ptx.h" #endif -#include "cmm_cut_gpu_memory.h" +#include "cg_cmm.h" #include #define CMM_GPU_MemoryT CMM_GPU_Memory @@ -52,7 +52,7 @@ int CMM_GPU_MemoryT::init(const int ntypes, double **host_cutsq, const double gpu_split, FILE *_screen) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,cmm_cut_gpu_kernel); + _screen,cg_cmm); if (success!=0) return success; diff --git a/lib/gpu/cmm_cut_gpu_kernel.cu b/lib/gpu/cg_cmm.cu similarity index 100% rename from lib/gpu/cmm_cut_gpu_kernel.cu rename to lib/gpu/cg_cmm.cu diff --git a/lib/gpu/cmm_cut_gpu_memory.h b/lib/gpu/cg_cmm.h similarity index 100% rename from lib/gpu/cmm_cut_gpu_memory.h rename to lib/gpu/cg_cmm.h diff --git a/lib/gpu/cmm_cut_gpu.cpp b/lib/gpu/cg_cmm_ext.cpp similarity index 99% rename from lib/gpu/cmm_cut_gpu.cpp rename to lib/gpu/cg_cmm_ext.cpp index 7be958615a..519fad118c 100644 --- a/lib/gpu/cmm_cut_gpu.cpp +++ b/lib/gpu/cg_cmm_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "cmm_cut_gpu_memory.h" +#include "cg_cmm.h" using namespace std; diff --git a/lib/gpu/cmmc_long_gpu_memory.cpp b/lib/gpu/cg_cmm_long.cpp similarity index 97% rename from lib/gpu/cmmc_long_gpu_memory.cpp rename to lib/gpu/cg_cmm_long.cpp index c6291982d6..1bb4fab4c2 100644 --- a/lib/gpu/cmmc_long_gpu_memory.cpp +++ b/lib/gpu/cg_cmm_long.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "cmmc_long_gpu_cl.h" +#include "cg_cmm_long_ext_cl.h" #else -#include "cmmc_long_gpu_ptx.h" +#include "cg_cmm_long_ext_ptx.h" #endif -#include "cmmc_long_gpu_memory.h" +#include "cg_cmm_long.h" #include #define CMML_GPU_MemoryT CMML_GPU_Memory @@ -57,7 +57,7 @@ int CMML_GPU_MemoryT::init(const int ntypes, double **host_cutsq, const double g_ewald) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,cmmc_long_gpu_kernel); + _screen,cg_cmm_long); if (success!=0) return success; diff --git a/lib/gpu/cmmc_long_gpu_kernel.cu b/lib/gpu/cg_cmm_long.cu similarity index 100% rename from lib/gpu/cmmc_long_gpu_kernel.cu rename to lib/gpu/cg_cmm_long.cu diff --git a/lib/gpu/cmmc_long_gpu_memory.h b/lib/gpu/cg_cmm_long.h similarity index 100% rename from lib/gpu/cmmc_long_gpu_memory.h rename to lib/gpu/cg_cmm_long.h diff --git a/lib/gpu/cmmc_long_gpu.cpp b/lib/gpu/cg_cmm_long_ext.cpp similarity index 99% rename from lib/gpu/cmmc_long_gpu.cpp rename to lib/gpu/cg_cmm_long_ext.cpp index a6f3d090af..5e3d64f3f4 100644 --- a/lib/gpu/cmmc_long_gpu.cpp +++ b/lib/gpu/cg_cmm_long_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "cmmc_long_gpu_memory.h" +#include "cg_cmm_long.h" using namespace std; diff --git a/lib/gpu/cmmc_msm_gpu_memory.cpp b/lib/gpu/cg_cmm_msm.cpp similarity index 97% rename from lib/gpu/cmmc_msm_gpu_memory.cpp rename to lib/gpu/cg_cmm_msm.cpp index 22d69a33e2..25ebcf8657 100644 --- a/lib/gpu/cmmc_msm_gpu_memory.cpp +++ b/lib/gpu/cg_cmm_msm.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "cmmc_msm_gpu_cl.h" +#include "cg_cmm_msm_ext_cl.h" #else -#include "cmmc_msm_gpu_ptx.h" +#include "cg_cmm_msm_ext_ptx.h" #endif -#include "cmmc_msm_gpu_memory.h" +#include "cg_cmm_msm.h" #include #define CMMM_GPU_MemoryT CMMM_GPU_Memory @@ -57,7 +57,7 @@ int CMMM_GPU_MemoryT::init(const int ntypes, double **host_cutsq, const int smooth) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,cmmc_msm_gpu_kernel); + _screen,cg_cmm_msm); if (success!=0) return success; diff --git a/lib/gpu/cmmc_msm_gpu_kernel.cu b/lib/gpu/cg_cmm_msm.cu similarity index 100% rename from lib/gpu/cmmc_msm_gpu_kernel.cu rename to lib/gpu/cg_cmm_msm.cu diff --git a/lib/gpu/cmmc_msm_gpu_memory.h b/lib/gpu/cg_cmm_msm.h similarity index 100% rename from lib/gpu/cmmc_msm_gpu_memory.h rename to lib/gpu/cg_cmm_msm.h diff --git a/lib/gpu/cmmc_msm_gpu.cpp b/lib/gpu/cg_cmm_msm_ext.cpp similarity index 99% rename from lib/gpu/cmmc_msm_gpu.cpp rename to lib/gpu/cg_cmm_msm_ext.cpp index cfa6c50453..681f4cf94a 100644 --- a/lib/gpu/cmmc_msm_gpu.cpp +++ b/lib/gpu/cg_cmm_msm_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "cmmc_msm_gpu_memory.h" +#include "cg_cmm_msm.h" using namespace std; diff --git a/lib/gpu/crml_gpu_memory.cpp b/lib/gpu/charmm_long.cpp similarity index 97% rename from lib/gpu/crml_gpu_memory.cpp rename to lib/gpu/charmm_long.cpp index 9c41cced1a..6fdf620f7c 100644 --- a/lib/gpu/crml_gpu_memory.cpp +++ b/lib/gpu/charmm_long.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "crml_gpu_cl.h" +#include "charmm_long_ext_cl.h" #else -#include "crml_gpu_ptx.h" +#include "charmm_long_ext_ptx.h" #endif -#include "crml_gpu_memory.h" +#include "charmm_long.h" #include #define CRML_GPU_MemoryT CRML_GPU_Memory @@ -58,7 +58,7 @@ int CRML_GPU_MemoryT::init(const int ntypes, double **sigma, const bool mix_arithmetic) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,crml_gpu_kernel); + _screen,charmm_long); if (success!=0) return success; diff --git a/lib/gpu/crml_gpu_kernel.cu b/lib/gpu/charmm_long.cu similarity index 100% rename from lib/gpu/crml_gpu_kernel.cu rename to lib/gpu/charmm_long.cu diff --git a/lib/gpu/crml_gpu_memory.h b/lib/gpu/charmm_long.h similarity index 100% rename from lib/gpu/crml_gpu_memory.h rename to lib/gpu/charmm_long.h diff --git a/lib/gpu/crml_gpu.cpp b/lib/gpu/charmm_long_ext.cpp similarity index 94% rename from lib/gpu/crml_gpu.cpp rename to lib/gpu/charmm_long_ext.cpp index 1e59562ed5..24064b3f48 100644 --- a/lib/gpu/crml_gpu.cpp +++ b/lib/gpu/charmm_long_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "crml_gpu_memory.h" +#include "charmm_long.h" using namespace std; @@ -28,7 +28,7 @@ static CRML_GPU_Memory CRMLMF; // --------------------------------------------------------------------------- // Allocate memory on host and device and copy constants to device // --------------------------------------------------------------------------- -int crml_gpu_init(const int ntypes, double cut_bothsq, double **host_lj1, +int charmm_long_ext_init(const int ntypes, double cut_bothsq, double **host_lj1, double **host_lj2, double **host_lj3, double **host_lj4, double **offset, double *special_lj, const int inum, const int nall, const int max_nbors, const int maxspecial, @@ -99,11 +99,11 @@ int crml_gpu_init(const int ntypes, double cut_bothsq, double **host_lj1, return init_ok; } -void crml_gpu_clear() { +void charmm_long_ext_clear() { CRMLMF.clear(); } -int** crml_gpu_compute_n(const int ago, const int inum_full, +int** charmm_long_ext_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, @@ -117,7 +117,7 @@ int** crml_gpu_compute_n(const int ago, const int inum_full, host_q, boxlo, prd); } -void crml_gpu_compute(const int ago, const int inum_full, +void charmm_long_ext_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, @@ -129,7 +129,7 @@ void crml_gpu_compute(const int ago, const int inum_full, nlocal,boxlo,prd); } -double crml_gpu_bytes() { +double charmm_long_ext_bytes() { return CRMLMF.host_memory_usage(); } diff --git a/lib/gpu/lj_cut_gpu_memory.cpp b/lib/gpu/lj.cpp similarity index 97% rename from lib/gpu/lj_cut_gpu_memory.cpp rename to lib/gpu/lj.cpp index 40622c576c..e3d1543dbf 100644 --- a/lib/gpu/lj_cut_gpu_memory.cpp +++ b/lib/gpu/lj.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "lj_cut_gpu_cl.h" +#include "lj_ext_cl.h" #else -#include "lj_cut_gpu_ptx.h" +#include "lj_ext_ptx.h" #endif -#include "lj_cut_gpu_memory.h" +#include "lj.h" #include #define LJL_GPU_MemoryT LJL_GPU_Memory @@ -52,7 +52,7 @@ int LJL_GPU_MemoryT::init(const int ntypes, const double gpu_split, FILE *_screen) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,lj_cut_gpu_kernel); + _screen,lj); if (success!=0) return success; diff --git a/lib/gpu/lj_cut_gpu_kernel.cu b/lib/gpu/lj.cu similarity index 100% rename from lib/gpu/lj_cut_gpu_kernel.cu rename to lib/gpu/lj.cu diff --git a/lib/gpu/lj_cut_gpu_memory.h b/lib/gpu/lj.h similarity index 100% rename from lib/gpu/lj_cut_gpu_memory.h rename to lib/gpu/lj.h diff --git a/lib/gpu/lj96_cut_gpu_memory.cpp b/lib/gpu/lj96.cpp similarity index 97% rename from lib/gpu/lj96_cut_gpu_memory.cpp rename to lib/gpu/lj96.cpp index 4cc61a5d03..8850c8f655 100644 --- a/lib/gpu/lj96_cut_gpu_memory.cpp +++ b/lib/gpu/lj96.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "lj96_cut_gpu_cl.h" +#include "lj96_ext_cl.h" #else -#include "lj96_cut_gpu_ptx.h" +#include "lj96_ext_ptx.h" #endif -#include "lj96_cut_gpu_memory.h" +#include "lj96.h" #include #define LJ96_GPU_MemoryT LJ96_GPU_Memory @@ -52,7 +52,7 @@ int LJ96_GPU_MemoryT::init(const int ntypes, const double gpu_split, FILE *_screen) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,lj96_cut_gpu_kernel); + _screen,lj96); if (success!=0) return success; diff --git a/lib/gpu/lj96_cut_gpu_kernel.cu b/lib/gpu/lj96.cu similarity index 100% rename from lib/gpu/lj96_cut_gpu_kernel.cu rename to lib/gpu/lj96.cu diff --git a/lib/gpu/lj96_cut_gpu_memory.h b/lib/gpu/lj96.h similarity index 100% rename from lib/gpu/lj96_cut_gpu_memory.h rename to lib/gpu/lj96.h diff --git a/lib/gpu/lj96_cut_gpu.cpp b/lib/gpu/lj96_ext.cpp similarity index 99% rename from lib/gpu/lj96_cut_gpu.cpp rename to lib/gpu/lj96_ext.cpp index df83afd521..0ec5e7d48a 100644 --- a/lib/gpu/lj96_cut_gpu.cpp +++ b/lib/gpu/lj96_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "lj96_cut_gpu_memory.h" +#include "lj96.h" using namespace std; diff --git a/lib/gpu/ljc_cut_gpu_memory.cpp b/lib/gpu/lj_coul.cpp similarity index 97% rename from lib/gpu/ljc_cut_gpu_memory.cpp rename to lib/gpu/lj_coul.cpp index df089a626a..9da19b7123 100644 --- a/lib/gpu/ljc_cut_gpu_memory.cpp +++ b/lib/gpu/lj_coul.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "ljc_cut_gpu_cl.h" +#include "lj_coul_ext_cl.h" #else -#include "ljc_cut_gpu_ptx.h" +#include "lj_coul_ext_ptx.h" #endif -#include "ljc_cut_gpu_memory.h" +#include "lj_coul.h" #include #define LJC_GPU_MemoryT LJC_GPU_Memory @@ -55,7 +55,7 @@ int LJC_GPU_MemoryT::init(const int ntypes, double *host_special_coul, const double qqrd2e) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,ljc_cut_gpu_kernel); + _screen,lj_coul); if (success!=0) return success; diff --git a/lib/gpu/ljc_cut_gpu_kernel.cu b/lib/gpu/lj_coul.cu similarity index 100% rename from lib/gpu/ljc_cut_gpu_kernel.cu rename to lib/gpu/lj_coul.cu diff --git a/lib/gpu/ljc_cut_gpu_memory.h b/lib/gpu/lj_coul.h similarity index 100% rename from lib/gpu/ljc_cut_gpu_memory.h rename to lib/gpu/lj_coul.h diff --git a/lib/gpu/ljc_cut_gpu.cpp b/lib/gpu/lj_coul_ext.cpp similarity index 99% rename from lib/gpu/ljc_cut_gpu.cpp rename to lib/gpu/lj_coul_ext.cpp index de6f4f3e62..1909384395 100644 --- a/lib/gpu/ljc_cut_gpu.cpp +++ b/lib/gpu/lj_coul_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "ljc_cut_gpu_memory.h" +#include "lj_coul.h" using namespace std; diff --git a/lib/gpu/ljcl_cut_gpu_memory.cpp b/lib/gpu/lj_coul_long.cpp similarity index 97% rename from lib/gpu/ljcl_cut_gpu_memory.cpp rename to lib/gpu/lj_coul_long.cpp index f36d2a68c2..41c1a1483c 100644 --- a/lib/gpu/ljcl_cut_gpu_memory.cpp +++ b/lib/gpu/lj_coul_long.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "ljcl_cut_gpu_cl.h" +#include "lj_coul_long_ext_cl.h" #else -#include "ljcl_cut_gpu_ptx.h" +#include "lj_coul_long_ext_ptx.h" #endif -#include "ljcl_cut_gpu_memory.h" +#include "lj_coul_long.h" #include #define LJCL_GPU_MemoryT LJCL_GPU_Memory @@ -56,7 +56,7 @@ int LJCL_GPU_MemoryT::init(const int ntypes, const double g_ewald) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,ljcl_cut_gpu_kernel); + _screen,lj_coul_long); if (success!=0) return success; diff --git a/lib/gpu/ljcl_cut_gpu_kernel.cu b/lib/gpu/lj_coul_long.cu similarity index 100% rename from lib/gpu/ljcl_cut_gpu_kernel.cu rename to lib/gpu/lj_coul_long.cu diff --git a/lib/gpu/ljcl_cut_gpu_memory.h b/lib/gpu/lj_coul_long.h similarity index 100% rename from lib/gpu/ljcl_cut_gpu_memory.h rename to lib/gpu/lj_coul_long.h diff --git a/lib/gpu/ljcl_cut_gpu.cpp b/lib/gpu/lj_coul_long_ext.cpp similarity index 99% rename from lib/gpu/ljcl_cut_gpu.cpp rename to lib/gpu/lj_coul_long_ext.cpp index 167f41b374..a90e6c714a 100644 --- a/lib/gpu/ljcl_cut_gpu.cpp +++ b/lib/gpu/lj_coul_long_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "ljcl_cut_gpu_memory.h" +#include "lj_coul_long.h" using namespace std; diff --git a/lib/gpu/lj_expand_gpu_memory.cpp b/lib/gpu/lj_expand.cpp similarity index 97% rename from lib/gpu/lj_expand_gpu_memory.cpp rename to lib/gpu/lj_expand.cpp index 714aa7c77f..b12ff98a78 100644 --- a/lib/gpu/lj_expand_gpu_memory.cpp +++ b/lib/gpu/lj_expand.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "lj_expand_gpu_cl.h" +#include "lj_expand_ext_cl.h" #else -#include "lj_expand_gpu_ptx.h" +#include "lj_expand_ext_ptx.h" #endif -#include "lj_expand_gpu_memory.h" +#include "lj_expand.h" #include #define LJE_GPU_MemoryT LJE_GPU_Memory @@ -52,7 +52,7 @@ int LJE_GPU_MemoryT::init(const int ntypes, double **host_cutsq, const double gpu_split, FILE *_screen) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,lj_expand_gpu_kernel); + _screen,lj_expand); if (success!=0) return success; diff --git a/lib/gpu/lj_expand_gpu_kernel.cu b/lib/gpu/lj_expand.cu similarity index 100% rename from lib/gpu/lj_expand_gpu_kernel.cu rename to lib/gpu/lj_expand.cu diff --git a/lib/gpu/lj_expand_gpu_memory.h b/lib/gpu/lj_expand.h similarity index 100% rename from lib/gpu/lj_expand_gpu_memory.h rename to lib/gpu/lj_expand.h diff --git a/lib/gpu/lj_expand_gpu.cpp b/lib/gpu/lj_expand_ext.cpp similarity index 99% rename from lib/gpu/lj_expand_gpu.cpp rename to lib/gpu/lj_expand_ext.cpp index fd0392f3fc..60fc19f77c 100644 --- a/lib/gpu/lj_expand_gpu.cpp +++ b/lib/gpu/lj_expand_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "lj_expand_gpu_memory.h" +#include "lj_expand.h" using namespace std; diff --git a/lib/gpu/lj_cut_gpu.cpp b/lib/gpu/lj_ext.cpp similarity index 99% rename from lib/gpu/lj_cut_gpu.cpp rename to lib/gpu/lj_ext.cpp index aef085f7c9..ed0b4ec179 100644 --- a/lib/gpu/lj_cut_gpu.cpp +++ b/lib/gpu/lj_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "lj_cut_gpu_memory.h" +#include "lj.h" using namespace std; diff --git a/lib/gpu/morse_gpu_memory.cpp b/lib/gpu/morse.cpp similarity index 97% rename from lib/gpu/morse_gpu_memory.cpp rename to lib/gpu/morse.cpp index d188683915..feb6e4258f 100644 --- a/lib/gpu/morse_gpu_memory.cpp +++ b/lib/gpu/morse.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #ifdef USE_OPENCL -#include "morse_gpu_cl.h" +#include "morse_ext_cl.h" #else -#include "morse_gpu_ptx.h" +#include "morse_ext_ptx.h" #endif -#include "morse_gpu_memory.h" +#include "morse.h" #include #define MOR_GPU_MemoryT MOR_GPU_Memory @@ -52,7 +52,7 @@ int MOR_GPU_MemoryT::init(const int ntypes, const double gpu_split, FILE *_screen) { int success; success=this->init_atomic(nlocal,nall,max_nbors,maxspecial,cell_size,gpu_split, - _screen,morse_gpu_kernel); + _screen,morse); if (success!=0) return success; diff --git a/lib/gpu/morse_gpu_kernel.cu b/lib/gpu/morse.cu similarity index 100% rename from lib/gpu/morse_gpu_kernel.cu rename to lib/gpu/morse.cu diff --git a/lib/gpu/morse_gpu_memory.h b/lib/gpu/morse.h similarity index 100% rename from lib/gpu/morse_gpu_memory.h rename to lib/gpu/morse.h diff --git a/lib/gpu/morse_gpu.cpp b/lib/gpu/morse_ext.cpp similarity index 99% rename from lib/gpu/morse_gpu.cpp rename to lib/gpu/morse_ext.cpp index 96636128db..00eab1c2c1 100644 --- a/lib/gpu/morse_gpu.cpp +++ b/lib/gpu/morse_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "morse_gpu_memory.h" +#include "morse.h" using namespace std; diff --git a/lib/gpu/pair_gpu_atom.cpp b/lib/gpu/pair_gpu_atom.cpp index e34a15c0b9..28550b8419 100644 --- a/lib/gpu/pair_gpu_atom.cpp +++ b/lib/gpu/pair_gpu_atom.cpp @@ -19,15 +19,6 @@ #define PairGPUAtomT PairGPUAtom -#ifdef WINDLL -#include -typedef bool (*__win_sort_alloc)(const int max_atoms); -typedef void (*__win_sort)(const int max_atoms, unsigned *cell_begin, - int *particle_begin); -__win_sort_alloc _win_sort_alloc; -__win_sort _win_sort; -#endif - template PairGPUAtomT::PairGPUAtom() : _compiled(false),_allocated(false), _max_gpu_bytes(0) { @@ -36,17 +27,6 @@ PairGPUAtomT::PairGPUAtom() : _compiled(false),_allocated(false), sort_config.datatype = CUDPP_UINT; sort_config.algorithm = CUDPP_SORT_RADIX; sort_config.options = CUDPP_OPTION_KEY_VALUE_PAIRS; - - #ifdef WINDLL - HINSTANCE hinstLib = LoadLibrary(TEXT("gpu.dll")); - if (hinstLib == NULL) { - printf("\nUnable to load gpu.dll\n"); - exit(1); - } - _win_sort_alloc=(__win_sort_alloc)GetProcAddress(hinstLib,"_win_sort_alloc"); - _win_sort=(__win_sort)GetProcAddress(hinstLib,"_win_sort"); - #endif - #endif } @@ -76,16 +56,12 @@ bool PairGPUAtomT::alloc(const int nall) { // Allocate storage for CUDPP sort #ifndef USE_OPENCL - #ifdef WINDLL - _win_sort_alloc(_max_atoms); - #else if (_gpu_nbor) { CUDPPResult result = cudppPlan(&sort_plan, sort_config, _max_atoms, 1, 0); if (CUDPP_SUCCESS != result) return false; } #endif - #endif // -------------------------- Host allocations // Get a host write only buffer @@ -259,10 +235,8 @@ void PairGPUAtomT::clear_resize() { #endif #ifndef USE_OPENCL - #ifndef WINDLL if (_gpu_nbor) cudppDestroyPlan(sort_plan); #endif - #endif } template @@ -300,10 +274,6 @@ double PairGPUAtomT::host_memory_usage() const { template void PairGPUAtomT::sort_neighbor(const int num_atoms) { #ifndef USE_OPENCL - #ifdef WINDLL - _win_sort(num_atoms,(unsigned *)dev_cell_id.begin(), - (int *)dev_particle_id.begin()); - #else CUDPPResult result = cudppSort(sort_plan, (unsigned *)dev_cell_id.begin(), (int *)dev_particle_id.begin(), 8*sizeof(unsigned), num_atoms); @@ -312,7 +282,6 @@ void PairGPUAtomT::sort_neighbor(const int num_atoms) { NVD_GERYON_EXIT; } #endif - #endif } #ifdef GPU_CAST diff --git a/lib/gpu/pair_gpu_device.h b/lib/gpu/pair_gpu_device.h index 52b35cfcf2..dbc93f70cd 100644 --- a/lib/gpu/pair_gpu_device.h +++ b/lib/gpu/pair_gpu_device.h @@ -21,7 +21,7 @@ #include "pair_gpu_atom.h" #include "pair_gpu_ans.h" #include "pair_gpu_nbor.h" -#include "pppm_gpu_memory.h" +#include "pppm.h" #include "mpi.h" #include #include "stdio.h" diff --git a/lib/gpu/pair_win_sort.cpp b/lib/gpu/pair_win_sort.cpp deleted file mode 100644 index 4843a7ca17..0000000000 --- a/lib/gpu/pair_win_sort.cpp +++ /dev/null @@ -1,82 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -/* ---------------------------------------------------------------------- - Contributing authors: Mike Brown (ORNL), brownw@ornl.gov -------------------------------------------------------------------------- */ - -#ifndef USE_OPENCL -#include "cudpp.h" -#endif - -class PairWinSort { - public: - inline PairWinSort() : _allocated(false) { - #ifndef USE_OPENCL - sort_config.op = CUDPP_ADD; - sort_config.datatype = CUDPP_UINT; - sort_config.algorithm = CUDPP_SORT_RADIX; - sort_config.options = CUDPP_OPTION_KEY_VALUE_PAIRS; - #endif - } - inline ~PairWinSort() { clear(); } - - /// Free all memory on host and device - inline void clear() { - #ifndef USE_OPENCL - if (_allocated) { cudppDestroyPlan(sort_plan); _allocated=false; } - #endif - } - - inline bool alloc(const int max_atoms) { - #ifndef USE_OPENCL - clear(); - CUDPPResult result = cudppPlan(&sort_plan, sort_config, max_atoms, 1, 0); - if (CUDPP_SUCCESS != result) - return false; - #endif - return true; - } - - /// Sort arrays for neighbor list calculation - void sort_neighbor(const int num_atoms, unsigned *cell_begin, int *particle_begin) { - #ifndef USE_OPENCL - CUDPPResult result = cudppSort(sort_plan, cell_begin, particle_begin, - 8*sizeof(unsigned), num_atoms); - if (CUDPP_SUCCESS != result) { - printf("Error in cudppSort\n"); - assert(1==0); - } - #endif - } - - private: - - bool allocated; - - #ifndef USE_OPENCL - CUDPPConfiguration sort_config; - CUDPPHandle sort_plan; - #endif -}; - -static PairWinSort win_sort; - -extern "C" __declspec(dllexport) bool _win_sort_alloc(const int max_atoms) { - win_sort.alloc(max_atoms); -} - -extern "C" __declspec(dllexport) bool _win_sort(const int max_atoms, unsigned *cell_begin, - int *particle_begin) { - win_sort.sort(num_atoms,cell_begin,particle_begin); -} diff --git a/lib/gpu/pppm_gpu_memory.cpp b/lib/gpu/pppm.cpp similarity index 99% rename from lib/gpu/pppm_gpu_memory.cpp rename to lib/gpu/pppm.cpp index 2f7b35d051..2bd394e9f6 100644 --- a/lib/gpu/pppm_gpu_memory.cpp +++ b/lib/gpu/pppm.cpp @@ -21,7 +21,7 @@ #include "pppm_f_gpu_ptx.h" #include "pppm_d_gpu_ptx.h" #endif -#include "pppm_gpu_memory.h" +#include "pppm.h" #include #define PPPMGPUMemoryT PPPMGPUMemory @@ -387,7 +387,7 @@ void PPPMGPUMemoryT::compile_kernels(UCL_Device &dev) { pppm_program=new UCL_Program(dev); #ifdef USE_OPENCL - pppm_program->load_string(pppm_gpu_kernel,flags.c_str()); + pppm_program->load_string(pppm,flags.c_str()); #else if (sizeof(grdtyp)==sizeof(float)) pppm_program->load_string(pppm_f_gpu_kernel,flags.c_str()); diff --git a/lib/gpu/pppm_gpu_kernel.cu b/lib/gpu/pppm.cu similarity index 100% rename from lib/gpu/pppm_gpu_kernel.cu rename to lib/gpu/pppm.cu diff --git a/lib/gpu/pppm_gpu_memory.h b/lib/gpu/pppm.h similarity index 100% rename from lib/gpu/pppm_gpu_memory.h rename to lib/gpu/pppm.h diff --git a/lib/gpu/pppm_l_gpu.cpp b/lib/gpu/pppm_ext.cpp similarity index 99% rename from lib/gpu/pppm_l_gpu.cpp rename to lib/gpu/pppm_ext.cpp index 200d2f1685..8b0206c89e 100644 --- a/lib/gpu/pppm_l_gpu.cpp +++ b/lib/gpu/pppm_ext.cpp @@ -19,7 +19,7 @@ #include #include -#include "pppm_gpu_memory.h" +#include "pppm.h" using namespace std; diff --git a/lib/gpu/re_squared.h b/lib/gpu/re_squared.h index d0c8a4dd4e..6ba94ff4ca 100644 --- a/lib/gpu/re_squared.h +++ b/lib/gpu/re_squared.h @@ -1,7 +1,7 @@ /*************************************************************************** re_squared.h ------------------- - W. Michael Brown + W. Michael Brown (ORNL) Host code for RE-Squared potential acceleration