jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

change references from cg_cmm to lj_sdk and from cmm to sdk

This commit is contained in:
Axel Kohlmeyer 2017-04-26 19:44:25 -04:00
parent 548c589f82
commit cd435c0c58
12 changed files with 102 additions and 102 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

40
lib/gpu/Nvidia.makefile
View File

@ -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

32
lib/gpu/Opencl.makefile
View File

@ -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;

34
lib/gpu/lal_cg_cmm.cpp
View File

@ -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);

6
lib/gpu/lal_cg_cmm.cu
View File

@ -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,

4
lib/gpu/lal_cg_cmm.h
View File

@ -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;

14
lib/gpu/lal_cg_cmm_ext.cpp
View File

@ -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();
}

12
lib/gpu/lal_cg_cmm_long.cpp
View File

@ -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;

6
lib/gpu/lal_cg_cmm_long.cu
View File

@ -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,

2
lib/gpu/lal_cg_cmm_long.h
View File

@ -1,5 +1,5 @@
/***************************************************************************
cg_cmm_long.h
lj_sdk_long.h
-------------------
W. Michael Brown (ORNL)

14
lib/gpu/lal_cg_cmm_long_ext.cpp
View File

@ -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();
}

20
src/GPU/pair_lj_sdk_coul_long_gpu.cpp
View File

@ -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();
}
/* ---------------------------------------------------------------------- */

20
src/GPU/pair_lj_sdk_gpu.cpp
View File

@ -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();
}
/* ---------------------------------------------------------------------- */