From cd435c0c58fe8e89ee1d60266791efbaa3fcba1f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Wed, 26 Apr 2017 19:44:25 -0400 Subject: [PATCH] change references from cg_cmm to lj_sdk and from cmm to sdk --- lib/gpu/Nvidia.makefile | 40 +++++++++++++-------------- lib/gpu/Opencl.makefile | 32 ++++++++++----------- lib/gpu/lal_cg_cmm.cpp | 34 +++++++++++------------ lib/gpu/lal_cg_cmm.cu | 6 ++-- lib/gpu/lal_cg_cmm.h | 4 +-- lib/gpu/lal_cg_cmm_ext.cpp | 14 +++++----- lib/gpu/lal_cg_cmm_long.cpp | 12 ++++---- lib/gpu/lal_cg_cmm_long.cu | 6 ++-- lib/gpu/lal_cg_cmm_long.h | 2 +- lib/gpu/lal_cg_cmm_long_ext.cpp | 14 +++++----- src/GPU/pair_lj_sdk_coul_long_gpu.cpp | 20 +++++++------- src/GPU/pair_lj_sdk_gpu.cpp | 20 +++++++------- 12 files changed, 102 insertions(+), 102 deletions(-) diff --git a/lib/gpu/Nvidia.makefile b/lib/gpu/Nvidia.makefile index e02849cfed..660544cfaa 100644 --- a/lib/gpu/Nvidia.makefile +++ b/lib/gpu/Nvidia.makefile @@ -43,8 +43,8 @@ OBJS = $(OBJ_DIR)/lal_atom.o $(OBJ_DIR)/lal_ans.o \ $(OBJ_DIR)/lal_coul_long.o $(OBJ_DIR)/lal_coul_long_ext.o \ $(OBJ_DIR)/lal_morse.o $(OBJ_DIR)/lal_morse_ext.o \ $(OBJ_DIR)/lal_charmm_long.o $(OBJ_DIR)/lal_charmm_long_ext.o \ - $(OBJ_DIR)/lal_cg_cmm.o $(OBJ_DIR)/lal_cg_cmm_ext.o \ - $(OBJ_DIR)/lal_cg_cmm_long.o $(OBJ_DIR)/lal_cg_cmm_long_ext.o \ + $(OBJ_DIR)/lal_lj_sdk.o $(OBJ_DIR)/lal_lj_sdk_ext.o \ + $(OBJ_DIR)/lal_lj_sdk_long.o $(OBJ_DIR)/lal_lj_sdk_long_ext.o \ $(OBJ_DIR)/lal_eam.o $(OBJ_DIR)/lal_eam_ext.o \ $(OBJ_DIR)/lal_eam_fs_ext.o $(OBJ_DIR)/lal_eam_alloy_ext.o \ $(OBJ_DIR)/lal_buck.o $(OBJ_DIR)/lal_buck_ext.o \ @@ -98,8 +98,8 @@ CBNS = $(OBJ_DIR)/device.cubin $(OBJ_DIR)/device_cubin.h \ $(OBJ_DIR)/coul_long.cubin $(OBJ_DIR)/coul_long_cubin.h \ $(OBJ_DIR)/morse.cubin $(OBJ_DIR)/morse_cubin.h \ $(OBJ_DIR)/charmm_long.cubin $(OBJ_DIR)/charmm_long_cubin.h \ - $(OBJ_DIR)/cg_cmm.cubin $(OBJ_DIR)/cg_cmm_cubin.h \ - $(OBJ_DIR)/cg_cmm_long.cubin $(OBJ_DIR)/cg_cmm_long_cubin.h \ + $(OBJ_DIR)/lj_sdk.cubin $(OBJ_DIR)/lj_sdk_cubin.h \ + $(OBJ_DIR)/lj_sdk_long.cubin $(OBJ_DIR)/lj_sdk_long_cubin.h \ $(OBJ_DIR)/eam.cubin $(OBJ_DIR)/eam_cubin.h \ $(OBJ_DIR)/buck.cubin $(OBJ_DIR)/buck_cubin.h \ $(OBJ_DIR)/buck_coul_long.cubin $(OBJ_DIR)/buck_coul_long_cubin.h \ @@ -391,29 +391,29 @@ $(OBJ_DIR)/lal_lj_expand.o: $(ALL_H) lal_lj_expand.h lal_lj_expand.cpp $(OBJ_DIR $(OBJ_DIR)/lal_lj_expand_ext.o: $(ALL_H) lal_lj_expand.h lal_lj_expand_ext.cpp lal_base_atomic.h $(CUDR) -o $@ -c lal_lj_expand_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cg_cmm.cubin: lal_cg_cmm.cu lal_precision.h lal_preprocessor.h - $(CUDA) --cubin -DNV_KERNEL -o $@ lal_cg_cmm.cu +$(OBJ_DIR)/lj_sdk.cubin: lal_lj_sdk.cu lal_precision.h lal_preprocessor.h + $(CUDA) --cubin -DNV_KERNEL -o $@ lal_lj_sdk.cu -$(OBJ_DIR)/cg_cmm_cubin.h: $(OBJ_DIR)/cg_cmm.cubin $(OBJ_DIR)/cg_cmm.cubin - $(BIN2C) -c -n cg_cmm $(OBJ_DIR)/cg_cmm.cubin > $(OBJ_DIR)/cg_cmm_cubin.h +$(OBJ_DIR)/lj_sdk_cubin.h: $(OBJ_DIR)/lj_sdk.cubin $(OBJ_DIR)/lj_sdk.cubin + $(BIN2C) -c -n lj_sdk $(OBJ_DIR)/lj_sdk.cubin > $(OBJ_DIR)/lj_sdk_cubin.h -$(OBJ_DIR)/lal_cg_cmm.o: $(ALL_H) lal_cg_cmm.h lal_cg_cmm.cpp $(OBJ_DIR)/cg_cmm_cubin.h $(OBJ_DIR)/lal_base_atomic.o - $(CUDR) -o $@ -c lal_cg_cmm.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk.o: $(ALL_H) lal_lj_sdk.h lal_lj_sdk.cpp $(OBJ_DIR)/lj_sdk_cubin.h $(OBJ_DIR)/lal_base_atomic.o + $(CUDR) -o $@ -c lal_lj_sdk.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lal_cg_cmm_ext.o: $(ALL_H) lal_cg_cmm.h lal_cg_cmm_ext.cpp lal_base_atomic.h - $(CUDR) -o $@ -c lal_cg_cmm_ext.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk_ext.o: $(ALL_H) lal_lj_sdk.h lal_lj_sdk_ext.cpp lal_base_atomic.h + $(CUDR) -o $@ -c lal_lj_sdk_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cg_cmm_long.cubin: lal_cg_cmm_long.cu lal_precision.h lal_preprocessor.h - $(CUDA) --cubin -DNV_KERNEL -o $@ lal_cg_cmm_long.cu +$(OBJ_DIR)/lj_sdk_long.cubin: lal_lj_sdk_long.cu lal_precision.h lal_preprocessor.h + $(CUDA) --cubin -DNV_KERNEL -o $@ lal_lj_sdk_long.cu -$(OBJ_DIR)/cg_cmm_long_cubin.h: $(OBJ_DIR)/cg_cmm_long.cubin $(OBJ_DIR)/cg_cmm_long.cubin - $(BIN2C) -c -n cg_cmm_long $(OBJ_DIR)/cg_cmm_long.cubin > $(OBJ_DIR)/cg_cmm_long_cubin.h +$(OBJ_DIR)/lj_sdk_long_cubin.h: $(OBJ_DIR)/lj_sdk_long.cubin $(OBJ_DIR)/lj_sdk_long.cubin + $(BIN2C) -c -n lj_sdk_long $(OBJ_DIR)/lj_sdk_long.cubin > $(OBJ_DIR)/lj_sdk_long_cubin.h -$(OBJ_DIR)/lal_cg_cmm_long.o: $(ALL_H) lal_cg_cmm_long.h lal_cg_cmm_long.cpp $(OBJ_DIR)/cg_cmm_long_cubin.h $(OBJ_DIR)/lal_base_atomic.o - $(CUDR) -o $@ -c lal_cg_cmm_long.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk_long.o: $(ALL_H) lal_lj_sdk_long.h lal_lj_sdk_long.cpp $(OBJ_DIR)/lj_sdk_long_cubin.h $(OBJ_DIR)/lal_base_atomic.o + $(CUDR) -o $@ -c lal_lj_sdk_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lal_cg_cmm_long_ext.o: $(ALL_H) lal_cg_cmm_long.h lal_cg_cmm_long_ext.cpp lal_base_charge.h - $(CUDR) -o $@ -c lal_cg_cmm_long_ext.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk_long_ext.o: $(ALL_H) lal_lj_sdk_long.h lal_lj_sdk_long_ext.cpp lal_base_charge.h + $(CUDR) -o $@ -c lal_lj_sdk_long_ext.cpp -I$(OBJ_DIR) $(OBJ_DIR)/eam.cubin: lal_eam.cu lal_precision.h lal_preprocessor.h $(CUDA) --cubin -DNV_KERNEL -o $@ lal_eam.cu diff --git a/lib/gpu/Opencl.makefile b/lib/gpu/Opencl.makefile index 7ef1dfba0c..4a59595313 100644 --- a/lib/gpu/Opencl.makefile +++ b/lib/gpu/Opencl.makefile @@ -32,8 +32,8 @@ OBJS = $(OBJ_DIR)/lal_atom.o $(OBJ_DIR)/lal_answer.o \ $(OBJ_DIR)/lal_coul_long.o $(OBJ_DIR)/lal_coul_long_ext.o \ $(OBJ_DIR)/lal_morse.o $(OBJ_DIR)/lal_morse_ext.o \ $(OBJ_DIR)/lal_charmm_long.o $(OBJ_DIR)/lal_charmm_long_ext.o \ - $(OBJ_DIR)/lal_cg_cmm.o $(OBJ_DIR)/lal_cg_cmm_ext.o \ - $(OBJ_DIR)/lal_cg_cmm_long.o $(OBJ_DIR)/lal_cg_cmm_long_ext.o \ + $(OBJ_DIR)/lal_lj_sdk.o $(OBJ_DIR)/lal_lj_sdk_ext.o \ + $(OBJ_DIR)/lal_lj_sdk_long.o $(OBJ_DIR)/lal_lj_sdk_long_ext.o \ $(OBJ_DIR)/lal_eam.o $(OBJ_DIR)/lal_eam_ext.o \ $(OBJ_DIR)/lal_eam_fs_ext.o $(OBJ_DIR)/lal_eam_alloy_ext.o \ $(OBJ_DIR)/lal_buck.o $(OBJ_DIR)/lal_buck_ext.o \ @@ -75,8 +75,8 @@ KERS = $(OBJ_DIR)/device_cl.h $(OBJ_DIR)/atom_cl.h \ $(OBJ_DIR)/lj_coul_long_cl.h $(OBJ_DIR)/lj_dsf_cl.h \ $(OBJ_DIR)/lj_class2_long_cl.h \ $(OBJ_DIR)/coul_long_cl.h $(OBJ_DIR)/morse_cl.h \ - $(OBJ_DIR)/charmm_long_cl.h $(OBJ_DIR)/cg_cmm_cl.h \ - $(OBJ_DIR)/cg_cmm_long_cl.h $(OBJ_DIR)/neighbor_gpu_cl.h \ + $(OBJ_DIR)/charmm_long_cl.h $(OBJ_DIR)/lj_sdk_cl.h \ + $(OBJ_DIR)/lj_sdk_long_cl.h $(OBJ_DIR)/neighbor_gpu_cl.h \ $(OBJ_DIR)/eam_cl.h $(OBJ_DIR)/buck_cl.h \ $(OBJ_DIR)/buck_coul_cl.h $(OBJ_DIR)/buck_coul_long_cl.h \ $(OBJ_DIR)/table_cl.h $(OBJ_DIR)/yukawa_cl.h \ @@ -273,23 +273,23 @@ $(OBJ_DIR)/lal_lj_expand.o: $(ALL_H) lal_lj_expand.h lal_lj_expand.cpp $(OBJ_DI $(OBJ_DIR)/lal_lj_expand_ext.o: $(ALL_H) lal_lj_expand.h lal_lj_expand_ext.cpp lal_base_atomic.h $(OCL) -o $@ -c lal_lj_expand_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cg_cmm_cl.h: lal_cg_cmm.cu $(PRE1_H) - $(BSH) ./geryon/file_to_cstr.sh cg_cmm $(PRE1_H) lal_cg_cmm.cu $(OBJ_DIR)/cg_cmm_cl.h; +$(OBJ_DIR)/lj_sdk_cl.h: lal_lj_sdk.cu $(PRE1_H) + $(BSH) ./geryon/file_to_cstr.sh lj_sdk $(PRE1_H) lal_lj_sdk.cu $(OBJ_DIR)/lj_sdk_cl.h; -$(OBJ_DIR)/lal_cg_cmm.o: $(ALL_H) lal_cg_cmm.h lal_cg_cmm.cpp $(OBJ_DIR)/cg_cmm_cl.h $(OBJ_DIR)/cg_cmm_cl.h $(OBJ_DIR)/lal_base_atomic.o - $(OCL) -o $@ -c lal_cg_cmm.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk.o: $(ALL_H) lal_lj_sdk.h lal_lj_sdk.cpp $(OBJ_DIR)/lj_sdk_cl.h $(OBJ_DIR)/lj_sdk_cl.h $(OBJ_DIR)/lal_base_atomic.o + $(OCL) -o $@ -c lal_lj_sdk.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lal_cg_cmm_ext.o: $(ALL_H) lal_cg_cmm.h lal_cg_cmm_ext.cpp lal_base_atomic.h - $(OCL) -o $@ -c lal_cg_cmm_ext.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk_ext.o: $(ALL_H) lal_lj_sdk.h lal_lj_sdk_ext.cpp lal_base_atomic.h + $(OCL) -o $@ -c lal_lj_sdk_ext.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/cg_cmm_long_cl.h: lal_cg_cmm_long.cu $(PRE1_H) - $(BSH) ./geryon/file_to_cstr.sh cg_cmm_long $(PRE1_H) lal_cg_cmm_long.cu $(OBJ_DIR)/cg_cmm_long_cl.h; +$(OBJ_DIR)/lj_sdk_long_cl.h: lal_lj_sdk_long.cu $(PRE1_H) + $(BSH) ./geryon/file_to_cstr.sh lj_sdk_long $(PRE1_H) lal_lj_sdk_long.cu $(OBJ_DIR)/lj_sdk_long_cl.h; -$(OBJ_DIR)/lal_cg_cmm_long.o: $(ALL_H) lal_cg_cmm_long.h lal_cg_cmm_long.cpp $(OBJ_DIR)/cg_cmm_long_cl.h $(OBJ_DIR)/cg_cmm_long_cl.h $(OBJ_DIR)/lal_base_atomic.o - $(OCL) -o $@ -c lal_cg_cmm_long.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk_long.o: $(ALL_H) lal_lj_sdk_long.h lal_lj_sdk_long.cpp $(OBJ_DIR)/lj_sdk_long_cl.h $(OBJ_DIR)/lj_sdk_long_cl.h $(OBJ_DIR)/lal_base_atomic.o + $(OCL) -o $@ -c lal_lj_sdk_long.cpp -I$(OBJ_DIR) -$(OBJ_DIR)/lal_cg_cmm_long_ext.o: $(ALL_H) lal_cg_cmm_long.h lal_cg_cmm_long_ext.cpp lal_base_charge.h - $(OCL) -o $@ -c lal_cg_cmm_long_ext.cpp -I$(OBJ_DIR) +$(OBJ_DIR)/lal_lj_sdk_long_ext.o: $(ALL_H) lal_lj_sdk_long.h lal_lj_sdk_long_ext.cpp lal_base_charge.h + $(OCL) -o $@ -c lal_lj_sdk_long_ext.cpp -I$(OBJ_DIR) $(OBJ_DIR)/eam_cl.h: lal_eam.cu $(PRE1_H) $(BSH) ./geryon/file_to_cstr.sh eam $(PRE1_H) lal_eam.cu $(OBJ_DIR)/eam_cl.h; diff --git a/lib/gpu/lal_cg_cmm.cpp b/lib/gpu/lal_cg_cmm.cpp index d361e32b09..618555e38a 100644 --- a/lib/gpu/lal_cg_cmm.cpp +++ b/lib/gpu/lal_cg_cmm.cpp @@ -1,5 +1,5 @@ /*************************************************************************** - cg_cmm.cpp + lj_sdk.cpp ------------------- W. Michael Brown (ORNL) @@ -14,14 +14,14 @@ ***************************************************************************/ #if defined(USE_OPENCL) -#include "cg_cmm_cl.h" +#include "lj_sdk_cl.h" #elif defined(USE_CUDART) -const char *cg_cmm=0; +const char *lj_sdk=0; #else -#include "cg_cmm_cubin.h" +#include "lj_sdk_cubin.h" #endif -#include "lal_cg_cmm.h" +#include "lal_lj_sdk.h" #include <cassert> using namespace LAMMPS_AL; #define CGCMMT CGCMM<numtyp, acctyp> @@ -53,33 +53,33 @@ int CGCMMT::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,cg_cmm,"k_cg_cmm"); + _screen,lj_sdk,"k_lj_sdk"); if (success!=0) return success; // If atom type constants fit in shared memory use fast kernel - int cmm_types=ntypes; + int sdk_types=ntypes; shared_types=false; int max_shared_types=this->device->max_shared_types(); - if (cmm_types<=max_shared_types && this->_block_size>=max_shared_types) { - cmm_types=max_shared_types; + if (sdk_types<=max_shared_types && this->_block_size>=max_shared_types) { + sdk_types=max_shared_types; shared_types=true; } - _cmm_types=cmm_types; + _sdk_types=sdk_types; // Allocate a host write buffer for data initialization - UCL_H_Vec<numtyp> host_write(cmm_types*cmm_types*32,*(this->ucl_device), + UCL_H_Vec<numtyp> host_write(sdk_types*sdk_types*32,*(this->ucl_device), UCL_WRITE_ONLY); - for (int i=0; i<cmm_types*cmm_types; i++) + for (int i=0; i<sdk_types*sdk_types; i++) host_write[i]=0.0; - lj1.alloc(cmm_types*cmm_types,*(this->ucl_device),UCL_READ_ONLY); - this->atom->type_pack4(ntypes,cmm_types,lj1,host_write,host_cutsq, + lj1.alloc(sdk_types*sdk_types,*(this->ucl_device),UCL_READ_ONLY); + this->atom->type_pack4(ntypes,sdk_types,lj1,host_write,host_cutsq, host_cg_type,host_lj1,host_lj2); - lj3.alloc(cmm_types*cmm_types,*(this->ucl_device),UCL_READ_ONLY); - this->atom->type_pack4(ntypes,cmm_types,lj3,host_write,host_lj3,host_lj4, + lj3.alloc(sdk_types*sdk_types,*(this->ucl_device),UCL_READ_ONLY); + this->atom->type_pack4(ntypes,sdk_types,lj3,host_write,host_lj3,host_lj4, host_offset); UCL_H_Vec<double> dview; @@ -143,7 +143,7 @@ void CGCMMT::loop(const bool _eflag, const bool _vflag) { } else { this->k_pair.set_size(GX,BX); this->k_pair.run(&this->atom->x, &lj1, &lj3, - &_cmm_types, &sp_lj, &this->nbor->dev_nbor, + &_sdk_types, &sp_lj, &this->nbor->dev_nbor, &this->_nbor_data->begin(), &this->ans->force, &this->ans->engv, &eflag, &vflag, &ainum, &nbor_pitch, &this->_threads_per_atom); diff --git a/lib/gpu/lal_cg_cmm.cu b/lib/gpu/lal_cg_cmm.cu index 70d2ab6092..01b2cdd18d 100644 --- a/lib/gpu/lal_cg_cmm.cu +++ b/lib/gpu/lal_cg_cmm.cu @@ -1,5 +1,5 @@ // ************************************************************************** -// cg_cmm.cu +// lj_sdk.cu // ------------------- // W. Michael Brown (ORNL) // @@ -24,7 +24,7 @@ texture<int4,1> pos_tex; #define pos_tex x_ #endif -__kernel void k_cg_cmm(const __global numtyp4 *restrict x_, +__kernel void k_lj_sdk(const __global numtyp4 *restrict x_, const __global numtyp4 *restrict lj1, const __global numtyp4 *restrict lj3, const int lj_types, @@ -116,7 +116,7 @@ __kernel void k_cg_cmm(const __global numtyp4 *restrict x_, } // if ii } -__kernel void k_cg_cmm_fast(const __global numtyp4 *restrict x_, +__kernel void k_lj_sdk_fast(const __global numtyp4 *restrict x_, const __global numtyp4 *restrict lj1_in, const __global numtyp4 *restrict lj3_in, const __global numtyp *restrict sp_lj_in, diff --git a/lib/gpu/lal_cg_cmm.h b/lib/gpu/lal_cg_cmm.h index b7895b5898..ac2b9aafe3 100644 --- a/lib/gpu/lal_cg_cmm.h +++ b/lib/gpu/lal_cg_cmm.h @@ -1,5 +1,5 @@ /*************************************************************************** - cg_cmm.h + lj_sdk.h ------------------- W. Michael Brown (ORNL) @@ -67,7 +67,7 @@ class CGCMM : public BaseAtomic<numtyp, acctyp> { bool shared_types; /// Number of atom types - int _cmm_types; + int _sdk_types; private: bool _allocated; diff --git a/lib/gpu/lal_cg_cmm_ext.cpp b/lib/gpu/lal_cg_cmm_ext.cpp index b6fc110b15..386106161e 100644 --- a/lib/gpu/lal_cg_cmm_ext.cpp +++ b/lib/gpu/lal_cg_cmm_ext.cpp @@ -1,5 +1,5 @@ /*************************************************************************** - cg_cmm.h + lj_sdk.h ------------------- W. Michael Brown (ORNL) @@ -17,7 +17,7 @@ #include <cassert> #include <math.h> -#include "lal_cg_cmm.h" +#include "lal_lj_sdk.h" using namespace std; using namespace LAMMPS_AL; @@ -27,7 +27,7 @@ static CGCMM<PRECISION,ACC_PRECISION> CMMMF; // --------------------------------------------------------------------------- // Allocate memory on host and device and copy constants to device // --------------------------------------------------------------------------- -int cmm_gpu_init(const int ntypes, double **cutsq, int **cg_types, +int sdk_gpu_init(const int ntypes, double **cutsq, int **cg_types, 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, @@ -89,11 +89,11 @@ int cmm_gpu_init(const int ntypes, double **cutsq, int **cg_types, return init_ok; } -void cmm_gpu_clear() { +void sdk_gpu_clear() { CMMMF.clear(); } -int** cmm_gpu_compute_n(const int ago, const int inum_full, +int** sdk_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial, tagint **special, const bool eflag, const bool vflag, @@ -105,7 +105,7 @@ int** cmm_gpu_compute_n(const int ago, const int inum_full, vatom, host_start, ilist, jnum, cpu_time, success); } -void cmm_gpu_compute(const int ago, const int inum_full, const int nall, +void sdk_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, @@ -114,7 +114,7 @@ void cmm_gpu_compute(const int ago, const int inum_full, const int nall, firstneigh,eflag,vflag,eatom,vatom,host_start,cpu_time,success); } -double cmm_gpu_bytes() { +double sdk_gpu_bytes() { return CMMMF.host_memory_usage(); } diff --git a/lib/gpu/lal_cg_cmm_long.cpp b/lib/gpu/lal_cg_cmm_long.cpp index 14b5b7622c..46caf6bd36 100644 --- a/lib/gpu/lal_cg_cmm_long.cpp +++ b/lib/gpu/lal_cg_cmm_long.cpp @@ -1,5 +1,5 @@ /*************************************************************************** - cg_cmm_long.cpp + lj_sdk_long.cpp ------------------- W. Michael Brown (ORNL) @@ -14,14 +14,14 @@ ***************************************************************************/ #if defined(USE_OPENCL) -#include "cg_cmm_long_cl.h" +#include "lj_sdk_long_cl.h" #elif defined(USE_CUDART) -const char *cg_cmm_long=0; +const char *lj_sdk_long=0; #else -#include "cg_cmm_long_cubin.h" +#include "lj_sdk_long_cubin.h" #endif -#include "lal_cg_cmm_long.h" +#include "lal_lj_sdk_long.h" #include <cassert> using namespace LAMMPS_AL; #define CGCMMLongT CGCMMLong<numtyp, acctyp> @@ -58,7 +58,7 @@ int CGCMMLongT::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,cg_cmm_long,"k_cg_cmm_long"); + _screen,lj_sdk_long,"k_lj_sdk_long"); if (success!=0) return success; diff --git a/lib/gpu/lal_cg_cmm_long.cu b/lib/gpu/lal_cg_cmm_long.cu index f6942d1809..5ff64b2254 100644 --- a/lib/gpu/lal_cg_cmm_long.cu +++ b/lib/gpu/lal_cg_cmm_long.cu @@ -1,5 +1,5 @@ // ************************************************************************** -// cg_cmm_long.cu +// lj_sdk_long.cu // ------------------- // W. Michael Brown (ORNL) // @@ -29,7 +29,7 @@ texture<int2> q_tex; #define q_tex q_ #endif -__kernel void k_cg_cmm_long(const __global numtyp4 *restrict x_, +__kernel void k_lj_sdk_long(const __global numtyp4 *restrict x_, const __global numtyp4 *restrict lj1, const __global numtyp4 *restrict lj3, const int lj_types, @@ -154,7 +154,7 @@ __kernel void k_cg_cmm_long(const __global numtyp4 *restrict x_, } // if ii } -__kernel void k_cg_cmm_long_fast(const __global numtyp4 *restrict x_, +__kernel void k_lj_sdk_long_fast(const __global numtyp4 *restrict x_, const __global numtyp4 *restrict lj1_in, const __global numtyp4 *restrict lj3_in, const __global numtyp *restrict sp_lj_in, diff --git a/lib/gpu/lal_cg_cmm_long.h b/lib/gpu/lal_cg_cmm_long.h index aa0cbfbaf0..f56687cd7d 100644 --- a/lib/gpu/lal_cg_cmm_long.h +++ b/lib/gpu/lal_cg_cmm_long.h @@ -1,5 +1,5 @@ /*************************************************************************** - cg_cmm_long.h + lj_sdk_long.h ------------------- W. Michael Brown (ORNL) diff --git a/lib/gpu/lal_cg_cmm_long_ext.cpp b/lib/gpu/lal_cg_cmm_long_ext.cpp index ee0a0269e5..08390d3eeb 100644 --- a/lib/gpu/lal_cg_cmm_long_ext.cpp +++ b/lib/gpu/lal_cg_cmm_long_ext.cpp @@ -1,5 +1,5 @@ /*************************************************************************** - cg_cmm_long.h + lj_sdk_long.h ------------------- W. Michael Brown (ORNL) @@ -17,7 +17,7 @@ #include <cassert> #include <math.h> -#include "lal_cg_cmm_long.h" +#include "lal_lj_sdk_long.h" using namespace std; using namespace LAMMPS_AL; @@ -27,7 +27,7 @@ static CGCMMLong<PRECISION,ACC_PRECISION> CMMLMF; // --------------------------------------------------------------------------- // Allocate memory on host and device and copy constants to device // --------------------------------------------------------------------------- -int cmml_gpu_init(const int ntypes, double **cutsq, int **cg_type, +int sdkl_gpu_init(const int ntypes, double **cutsq, int **cg_type, 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, @@ -93,11 +93,11 @@ int cmml_gpu_init(const int ntypes, double **cutsq, int **cg_type, return init_ok; } -void cmml_gpu_clear() { +void sdkl_gpu_clear() { CMMLMF.clear(); } -int** cmml_gpu_compute_n(const int ago, const int inum_full, +int** sdkl_gpu_compute_n(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial, tagint **special, const bool eflag, const bool vflag, @@ -111,7 +111,7 @@ int** cmml_gpu_compute_n(const int ago, const int inum_full, host_q,boxlo,prd); } -void cmml_gpu_compute(const int ago, const int inum_full, const int nall, +void sdkl_gpu_compute(const int ago, const int inum_full, const int nall, double **host_x, int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, @@ -122,7 +122,7 @@ void cmml_gpu_compute(const int ago, const int inum_full, const int nall, host_q,nlocal,boxlo,prd); } -double cmml_gpu_bytes() { +double sdkl_gpu_bytes() { return CMMLMF.host_memory_usage(); } diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp index 0b8d0f3b31..77c0dc0660 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp @@ -48,7 +48,7 @@ using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition -int cmml_gpu_init(const int ntypes, double **cutsq, int **lj_type, +int sdkl_gpu_init(const int ntypes, double **cutsq, int **lj_type, double **host_lj1, double **host_lj2, double **host_lj3, double **host_lj4, double **offset, double *special_lj, const int nlocal, const int nall, const int max_nbors, @@ -56,8 +56,8 @@ int cmml_gpu_init(const int ntypes, double **cutsq, int **lj_type, FILE *screen, double **host_cut_ljsq, double host_cut_coulsq, double *host_special_coul, const double qqrd2e, const double g_ewald); -void cmml_gpu_clear(); -int ** cmml_gpu_compute_n(const int ago, const int inum, const int nall, +void sdkl_gpu_clear(); +int ** sdkl_gpu_compute_n(const int ago, const int inum, const int nall, double **host_x, int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial, tagint **special, const bool eflag, const bool vflag, @@ -65,13 +65,13 @@ int ** cmml_gpu_compute_n(const int ago, const int inum, const int nall, int **ilist, int **jnum, const double cpu_time, bool &success, double *host_q, double *boxlo, double *prd); -void cmml_gpu_compute(const int ago, const int inum, const int nall, +void sdkl_gpu_compute(const int ago, const int inum, const int nall, double **host_x, int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, const double cpu_time, bool &success, double *host_q, const int nlocal, double *boxlo, double *prd); -double cmml_gpu_bytes(); +double sdkl_gpu_bytes(); #include "lj_sdk_common.h" @@ -95,7 +95,7 @@ PairLJSDKCoulLongGPU::PairLJSDKCoulLongGPU(LAMMPS *lmp) : PairLJSDKCoulLongGPU::~PairLJSDKCoulLongGPU() { - cmml_gpu_clear(); + sdkl_gpu_clear(); } /* ---------------------------------------------------------------------- */ @@ -112,7 +112,7 @@ void PairLJSDKCoulLongGPU::compute(int eflag, int vflag) int *ilist, *numneigh, **firstneigh; if (gpu_mode != GPU_FORCE) { inum = atom->nlocal; - firstneigh = cmml_gpu_compute_n(neighbor->ago, inum, nall, atom->x, + firstneigh = sdkl_gpu_compute_n(neighbor->ago, inum, nall, atom->x, atom->type, domain->sublo, domain->subhi, atom->tag, atom->nspecial, atom->special, eflag, vflag, eflag_atom, vflag_atom, @@ -124,7 +124,7 @@ void PairLJSDKCoulLongGPU::compute(int eflag, int vflag) ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; - cmml_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, + sdkl_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, ilist, numneigh, firstneigh, eflag, vflag, eflag_atom, vflag_atom, host_start, cpu_time, success, atom->q, atom->nlocal, domain->boxlo, domain->prd); @@ -185,7 +185,7 @@ void PairLJSDKCoulLongGPU::init_style() int maxspecial=0; if (atom->molecular) maxspecial=atom->maxspecial; - int success = cmml_gpu_init(atom->ntypes+1, cutsq, lj_type, lj1, lj2, lj3, + int success = sdkl_gpu_init(atom->ntypes+1, cutsq, lj_type, lj1, lj2, lj3, lj4, offset, force->special_lj, atom->nlocal, atom->nlocal+atom->nghost, 300, maxspecial, cell_size, gpu_mode, screen, cut_ljsq, @@ -205,7 +205,7 @@ void PairLJSDKCoulLongGPU::init_style() double PairLJSDKCoulLongGPU::memory_usage() { double bytes = Pair::memory_usage(); - return bytes + cmml_gpu_bytes(); + return bytes + sdkl_gpu_bytes(); } /* ---------------------------------------------------------------------- */ diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp index e7e9b690f3..67103181d5 100644 --- a/src/GPU/pair_lj_sdk_gpu.cpp +++ b/src/GPU/pair_lj_sdk_gpu.cpp @@ -39,26 +39,26 @@ using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition -int cmm_gpu_init(const int ntypes, double **cutsq, int **cg_types, +int sdk_gpu_init(const int ntypes, double **cutsq, int **cg_types, double **host_lj1, double **host_lj2, double **host_lj3, double **host_lj4, double **offset, double *special_lj, const int nlocal, const int nall, const int max_nbors, const int maxspecial, const double cell_size, int &gpu_mode, FILE *screen); -void cmm_gpu_clear(); -int ** cmm_gpu_compute_n(const int ago, const int inum, const int nall, +void sdk_gpu_clear(); +int ** sdk_gpu_compute_n(const int ago, const int inum, const int nall, double **host_x, int *host_type, double *sublo, double *subhi, tagint *tag, int **nspecial, tagint **special, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, int **ilist, int **jnum, const double cpu_time, bool &success); -void cmm_gpu_compute(const int ago, const int inum, const int nall, +void sdk_gpu_compute(const int ago, const int inum, const int nall, double **host_x, int *host_type, int *ilist, int *numj, int **firstneigh, const bool eflag, const bool vflag, const bool eatom, const bool vatom, int &host_start, const double cpu_time, bool &success); -double cmm_gpu_bytes(); +double sdk_gpu_bytes(); #include "lj_sdk_common.h" @@ -80,7 +80,7 @@ PairLJSDKGPU::PairLJSDKGPU(LAMMPS *lmp) : PairLJSDK(lmp), gpu_mode(GPU_FORCE) PairLJSDKGPU::~PairLJSDKGPU() { - cmm_gpu_clear(); + sdk_gpu_clear(); } /* ---------------------------------------------------------------------- */ @@ -97,7 +97,7 @@ void PairLJSDKGPU::compute(int eflag, int vflag) int *ilist, *numneigh, **firstneigh; if (gpu_mode != GPU_FORCE) { inum = atom->nlocal; - firstneigh = cmm_gpu_compute_n(neighbor->ago, inum, nall, atom->x, + firstneigh = sdk_gpu_compute_n(neighbor->ago, inum, nall, atom->x, atom->type, domain->sublo, domain->subhi, atom->tag, atom->nspecial, atom->special, eflag, vflag, eflag_atom, vflag_atom, @@ -108,7 +108,7 @@ void PairLJSDKGPU::compute(int eflag, int vflag) ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; - cmm_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, + sdk_gpu_compute(neighbor->ago, inum, nall, atom->x, atom->type, ilist, numneigh, firstneigh, eflag, vflag, eflag_atom, vflag_atom, host_start, cpu_time, success); } @@ -154,7 +154,7 @@ void PairLJSDKGPU::init_style() int maxspecial=0; if (atom->molecular) maxspecial=atom->maxspecial; - int success = cmm_gpu_init(atom->ntypes+1,cutsq,lj_type,lj1,lj2,lj3,lj4, + int success = sdk_gpu_init(atom->ntypes+1,cutsq,lj_type,lj1,lj2,lj3,lj4, offset, force->special_lj, atom->nlocal, atom->nlocal+atom->nghost, 300, maxspecial, cell_size, gpu_mode, screen); @@ -172,7 +172,7 @@ void PairLJSDKGPU::init_style() double PairLJSDKGPU::memory_usage() { double bytes = Pair::memory_usage(); - return bytes + cmm_gpu_bytes(); + return bytes + sdk_gpu_bytes(); } /* ---------------------------------------------------------------------- */ -- GitLab