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Renamed a bunch of files.

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This commit is contained in:
W. Michael Brown
2011-06-10 11:53:46 -04:00
parent e5130b7d36
commit 31a477c9a2
50 changed files with 247 additions and 360 deletions
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220
lib/gpu/Nvidia.makefile
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@ -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)

154
lib/gpu/Opencl.makefile
View File

@ -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)

8
lib/gpu/cmm_cut_gpu_memory.cpp → lib/gpu/cg_cmm.cpp
View File

@ -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 <cassert>
#define CMM_GPU_MemoryT CMM_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/cmm_cut_gpu_kernel.cu → lib/gpu/cg_cmm.cu
View File

0
lib/gpu/cmm_cut_gpu_memory.h → lib/gpu/cg_cmm.h
View File

2
lib/gpu/cmm_cut_gpu.cpp → lib/gpu/cg_cmm_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "cmm_cut_gpu_memory.h"
#include "cg_cmm.h"
using namespace std;

8
lib/gpu/cmmc_long_gpu_memory.cpp → lib/gpu/cg_cmm_long.cpp
View File

@ -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 <cassert>
#define CMML_GPU_MemoryT CMML_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/cmmc_long_gpu_kernel.cu → lib/gpu/cg_cmm_long.cu
View File

0
lib/gpu/cmmc_long_gpu_memory.h → lib/gpu/cg_cmm_long.h
View File

2
lib/gpu/cmmc_long_gpu.cpp → lib/gpu/cg_cmm_long_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "cmmc_long_gpu_memory.h"
#include "cg_cmm_long.h"
using namespace std;

8
lib/gpu/cmmc_msm_gpu_memory.cpp → lib/gpu/cg_cmm_msm.cpp
View File

@ -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 <cassert>
#define CMMM_GPU_MemoryT CMMM_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/cmmc_msm_gpu_kernel.cu → lib/gpu/cg_cmm_msm.cu
View File

0
lib/gpu/cmmc_msm_gpu_memory.h → lib/gpu/cg_cmm_msm.h
View File

2
lib/gpu/cmmc_msm_gpu.cpp → lib/gpu/cg_cmm_msm_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "cmmc_msm_gpu_memory.h"
#include "cg_cmm_msm.h"
using namespace std;

8
lib/gpu/crml_gpu_memory.cpp → lib/gpu/charmm_long.cpp
View File

@ -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 <cassert>
#define CRML_GPU_MemoryT CRML_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/crml_gpu_kernel.cu → lib/gpu/charmm_long.cu
View File

0
lib/gpu/crml_gpu_memory.h → lib/gpu/charmm_long.h
View File

12
lib/gpu/crml_gpu.cpp → lib/gpu/charmm_long_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "crml_gpu_memory.h"
#include "charmm_long.h"
using namespace std;
@ -28,7 +28,7 @@ static CRML_GPU_Memory<PRECISION,ACC_PRECISION> 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();
}

8
lib/gpu/lj_cut_gpu_memory.cpp → lib/gpu/lj.cpp
View File

@ -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 <cassert>
#define LJL_GPU_MemoryT LJL_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/lj_cut_gpu_kernel.cu → lib/gpu/lj.cu
View File

0
lib/gpu/lj_cut_gpu_memory.h → lib/gpu/lj.h
View File

8
lib/gpu/lj96_cut_gpu_memory.cpp → lib/gpu/lj96.cpp
View File

@ -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 <cassert>
#define LJ96_GPU_MemoryT LJ96_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/lj96_cut_gpu_kernel.cu → lib/gpu/lj96.cu
View File

0
lib/gpu/lj96_cut_gpu_memory.h → lib/gpu/lj96.h
View File

2
lib/gpu/lj96_cut_gpu.cpp → lib/gpu/lj96_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "lj96_cut_gpu_memory.h"
#include "lj96.h"
using namespace std;

8
lib/gpu/ljc_cut_gpu_memory.cpp → lib/gpu/lj_coul.cpp
View File

@ -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 <cassert>
#define LJC_GPU_MemoryT LJC_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/ljc_cut_gpu_kernel.cu → lib/gpu/lj_coul.cu
View File

0
lib/gpu/ljc_cut_gpu_memory.h → lib/gpu/lj_coul.h
View File

2
lib/gpu/ljc_cut_gpu.cpp → lib/gpu/lj_coul_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "ljc_cut_gpu_memory.h"
#include "lj_coul.h"
using namespace std;

8
lib/gpu/ljcl_cut_gpu_memory.cpp → lib/gpu/lj_coul_long.cpp
View File

@ -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 <cassert>
#define LJCL_GPU_MemoryT LJCL_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/ljcl_cut_gpu_kernel.cu → lib/gpu/lj_coul_long.cu
View File

0
lib/gpu/ljcl_cut_gpu_memory.h → lib/gpu/lj_coul_long.h
View File

2
lib/gpu/ljcl_cut_gpu.cpp → lib/gpu/lj_coul_long_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "ljcl_cut_gpu_memory.h"
#include "lj_coul_long.h"
using namespace std;

8
lib/gpu/lj_expand_gpu_memory.cpp → lib/gpu/lj_expand.cpp
View File

@ -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 <cassert>
#define LJE_GPU_MemoryT LJE_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/lj_expand_gpu_kernel.cu → lib/gpu/lj_expand.cu
View File

0
lib/gpu/lj_expand_gpu_memory.h → lib/gpu/lj_expand.h
View File

2
lib/gpu/lj_expand_gpu.cpp → lib/gpu/lj_expand_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "lj_expand_gpu_memory.h"
#include "lj_expand.h"
using namespace std;

2
lib/gpu/lj_cut_gpu.cpp → lib/gpu/lj_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "lj_cut_gpu_memory.h"
#include "lj.h"
using namespace std;

8
lib/gpu/morse_gpu_memory.cpp → lib/gpu/morse.cpp
View File

@ -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 <cassert>
#define MOR_GPU_MemoryT MOR_GPU_Memory<numtyp, acctyp>
@ -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;

0
lib/gpu/morse_gpu_kernel.cu → lib/gpu/morse.cu
View File

0
lib/gpu/morse_gpu_memory.h → lib/gpu/morse.h
View File

2
lib/gpu/morse_gpu.cpp → lib/gpu/morse_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "morse_gpu_memory.h"
#include "morse.h"
using namespace std;

31
lib/gpu/pair_gpu_atom.cpp
View File

@ -19,15 +19,6 @@
#define PairGPUAtomT PairGPUAtom<numtyp,acctyp>
#ifdef WINDLL
#include <windows.h>
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 <class numtyp, class acctyp>
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 <class numtyp, class acctyp>
@ -300,10 +274,6 @@ double PairGPUAtomT::host_memory_usage() const {
template <class numtyp, class acctyp>
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

2
lib/gpu/pair_gpu_device.h
View File

@ -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 <sstream>
#include "stdio.h"

82
lib/gpu/pair_win_sort.cpp
View File

@ -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);
}

4
lib/gpu/pppm_gpu_memory.cpp → lib/gpu/pppm.cpp
View File

@ -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 <cassert>
#define PPPMGPUMemoryT PPPMGPUMemory<numtyp, acctyp, grdtyp, grdtyp4>
@ -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());

0
lib/gpu/pppm_gpu_kernel.cu → lib/gpu/pppm.cu
View File

0
lib/gpu/pppm_gpu_memory.h → lib/gpu/pppm.h
View File

2
lib/gpu/pppm_l_gpu.cpp → lib/gpu/pppm_ext.cpp
View File

@ -19,7 +19,7 @@
#include <cassert>
#include <math.h>
#include "pppm_gpu_memory.h"
#include "pppm.h"
using namespace std;

2
lib/gpu/re_squared.h
View File

@ -1,7 +1,7 @@
/***************************************************************************
re_squared.h
-------------------
W. Michael Brown
W. Michael Brown (ORNL)
Host code for RE-Squared potential acceleration