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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8810 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-09-21 15:57:23 +00:00
parent 8bcf139b73
commit 209999068c
53 changed files with 1733 additions and 1081 deletions
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230
lib/gpu/lal_table.cu
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@ -39,18 +39,21 @@ typedef union {
/// ---------------- LOOKUP -------------------------------------------------
__kernel void k_table(__global numtyp4 *x_, __global int *tabindex,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
const int lj_types,
__global numtyp *cutsq,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table(const __global numtyp4 *restrict x_,
const __global int *restrict tabindex,
const __global numtyp4 *restrict coeff2,
const __global numtyp4 *restrict coeff3,
const __global numtyp4 *restrict coeff4,
const int lj_types,
const __global numtyp *restrict cutsq,
const __global numtyp *restrict sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -70,7 +73,7 @@ __kernel void k_table(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -130,17 +133,20 @@ __kernel void k_table(__global numtyp4 *x_, __global int *tabindex,
} // if ii
}
__kernel void k_table_fast(__global numtyp4 *x_, __global int *tabindex,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
__global numtyp *cutsq_in,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_fast(const __global numtyp4 *restrict x_,
const __global int *restrict tabindex,
const __global numtyp4 *restrict coeff2,
const __global numtyp4 *restrict coeff3,
const __global numtyp4 *restrict coeff4,
const __global numtyp *restrict cutsq_in,
const __global numtyp *restrict sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -164,7 +170,7 @@ __kernel void k_table_fast(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -227,18 +233,21 @@ __kernel void k_table_fast(__global numtyp4 *x_, __global int *tabindex,
/// ---------------- LINEAR -------------------------------------------------
__kernel void k_table_linear(__global numtyp4 *x_, __global int *tabindex,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
const int lj_types,
__global numtyp *cutsq,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_linear(const __global numtyp4 *restrict x_,
const __global int *restrict tabindex,
const __global numtyp4 *restrict coeff2,
const __global numtyp4 *restrict coeff3,
const __global numtyp4 *restrict coeff4,
const int lj_types,
const __global numtyp *restrict cutsq,
const __global numtyp *restrict sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -258,7 +267,7 @@ __kernel void k_table_linear(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -322,17 +331,20 @@ __kernel void k_table_linear(__global numtyp4 *x_, __global int *tabindex,
} // if ii
}
__kernel void k_table_linear_fast(__global numtyp4 *x_, __global int *tabindex,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
__global numtyp *cutsq_in,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_linear_fast(const __global numtyp4 *restrict x_,
const __global int *restrict tabindex,
const __global numtyp4 *restrict coeff2,
const __global numtyp4 *restrict coeff3,
const __global numtyp4 *restrict coeff4,
const __global numtyp *restrict cutsq_in,
const __global numtyp *restrict sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
const int eflag, const int vflag,
const int inum, const int nbor_pitch,
const int t_per_atom, int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -356,7 +368,7 @@ __kernel void k_table_linear_fast(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -423,18 +435,21 @@ __kernel void k_table_linear_fast(__global numtyp4 *x_, __global int *tabindex,
/// ---------------- SPLINE -------------------------------------------------
__kernel void k_table_spline(__global numtyp4 *x_, __global int *tabindex,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
const int lj_types,
__global numtyp *cutsq,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_spline(const __global numtyp4 *restrict x_,
const __global int *restrict tabindex,
const __global numtyp4 *restrict coeff2,
const __global numtyp4 *restrict coeff3,
const __global numtyp4 *restrict coeff4,
const int lj_types,
const __global numtyp *restrict cutsq,
const __global numtyp *restrict sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -454,7 +469,7 @@ __kernel void k_table_spline(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -525,17 +540,20 @@ __kernel void k_table_spline(__global numtyp4 *x_, __global int *tabindex,
} // if ii
}
__kernel void k_table_spline_fast(__global numtyp4 *x_, __global int *tabindex,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
__global numtyp *cutsq_in,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_spline_fast(const __global numtyp4 *x_,
const __global int *tabindex,
const __global numtyp4* coeff2,
const __global numtyp4 *coeff3,
const __global numtyp4 *coeff4,
const __global numtyp *cutsq_in,
const __global numtyp* sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *ans,
__global acctyp *engv,
const int eflag, const int vflag,
const int inum, const int nbor_pitch,
const int t_per_atom, int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -559,7 +577,7 @@ __kernel void k_table_spline_fast(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -633,19 +651,23 @@ __kernel void k_table_spline_fast(__global numtyp4 *x_, __global int *tabindex,
/// ---------------- BITMAP -------------------------------------------------
__kernel void k_table_bitmap(__global numtyp4 *x_, __global int *tabindex,
__global int *nshiftbits, __global int *nmask,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
const int lj_types,
__global numtyp *cutsq,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_bitmap(const __global numtyp4 *x_,
const __global int *tabindex,
const __global int *nshiftbits,
const __global int *nmask,
const __global numtyp4* coeff2,
const __global numtyp4 *coeff3,
const __global numtyp4 *coeff4,
const int lj_types,
const __global numtyp *cutsq,
const __global numtyp* sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *ans,
__global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -665,7 +687,7 @@ __kernel void k_table_bitmap(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);
@ -732,18 +754,22 @@ __kernel void k_table_bitmap(__global numtyp4 *x_, __global int *tabindex,
} // if ii
}
__kernel void k_table_bitmap_fast(__global numtyp4 *x_, __global int *tabindex,
__global int *nshiftbits, __global int *nmask,
__global numtyp4* coeff2,
__global numtyp4 *coeff3,
__global numtyp4 *coeff4,
__global numtyp *cutsq_in,
__global numtyp* sp_lj_in,
__global int *dev_nbor, __global int *dev_packed,
__global acctyp4 *ans, __global acctyp *engv,
const int eflag, const int vflag, const int inum,
const int nbor_pitch, const int t_per_atom,
int tablength) {
__kernel void k_table_bitmap_fast(const __global numtyp4 *x_,
const __global int *tabindex,
const __global int *nshiftbits,
const __global int *nmask,
const __global numtyp4* coeff2,
const __global numtyp4 *coeff3,
const __global numtyp4 *coeff4,
const __global numtyp *cutsq_in,
const __global numtyp* sp_lj_in,
const __global int *dev_nbor,
const __global int *dev_packed,
__global acctyp4 *ans,
__global acctyp *engv,
const int eflag, const int vflag,
const int inum, const int nbor_pitch,
const int t_per_atom, int tablength) {
int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset);
@ -767,7 +793,7 @@ __kernel void k_table_bitmap_fast(__global numtyp4 *x_, __global int *tabindex,
int tlm1 = tablength - 1;
if (ii<inum) {
__global int *nbor, *list_end;
const __global int *nbor, *list_end;
int i, numj, n_stride;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
n_stride,list_end,nbor);