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lal_aux_fun1.h
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Sat, Nov 16, 04:55

lal_aux_fun1.h
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// **************************************************************************
// aux_fun1.h
// -------------------
// W. Michael Brown (ORNL)
//
// Device code for pair style auxiliary functions
//
// __________________________________________________________________________
// This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
// __________________________________________________________________________
//
// begin : Sat Oct 22 2011
// email : brownw@ornl.gov
// ***************************************************************************/
#ifdef NV_KERNEL
#include "lal_preprocessor.h"
#endif
#define atom_info(t_per_atom, ii, tid, offset) \
tid=THREAD_ID_X; \
offset=tid & (t_per_atom-1); \
ii=fast_mul((int)BLOCK_ID_X,(int)(BLOCK_SIZE_X)/t_per_atom)+tid/t_per_atom;
#define nbor_info(nbor_mem, packed_mem, nbor_stride, t_per_atom, ii, offset, \
i, numj, stride, list_end, nbor) \
nbor=nbor_mem+ii; \
i=*nbor; \
nbor+=nbor_stride; \
numj=*nbor; \
if (nbor_mem==packed_mem) { \
nbor+=nbor_stride+fast_mul(ii,t_per_atom-1); \
stride=fast_mul(t_per_atom,nbor_stride); \
list_end=nbor+fast_mul(numj/t_per_atom,stride)+ (numj & (t_per_atom-1)); \
nbor+=offset; \
} else { \
nbor+=nbor_stride; \
nbor=packed_mem+*nbor; \
list_end=nbor+numj; \
stride=t_per_atom; \
nbor+=offset; \
}
#if (ARCH < 300)
#define store_answers(f, energy, virial, ii, inum, tid, t_per_atom, offset, \
eflag, vflag, ans, engv) \
if (t_per_atom>1) { \
__local acctyp red_acc[6][BLOCK_PAIR]; \
red_acc[0][tid]=f.x; \
red_acc[1][tid]=f.y; \
red_acc[2][tid]=f.z; \
red_acc[3][tid]=energy; \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
if (offset < s) { \
for (int r=0; r<4; r++) \
red_acc[r][tid] += red_acc[r][tid+s]; \
} \
} \
f.x=red_acc[0][tid]; \
f.y=red_acc[1][tid]; \
f.z=red_acc[2][tid]; \
energy=red_acc[3][tid]; \
if (vflag>0) { \
for (int r=0; r<6; r++) \
red_acc[r][tid]=virial[r]; \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
if (offset < s) { \
for (int r=0; r<6; r++) \
red_acc[r][tid] += red_acc[r][tid+s]; \
} \
} \
for (int r=0; r<6; r++) \
virial[r]=red_acc[r][tid]; \
} \
} \
if (offset==0) { \
engv+=ii; \
if (eflag>0) { \
*engv=energy; \
engv+=inum; \
} \
if (vflag>0) { \
for (int i=0; i<6; i++) { \
*engv=virial[i]; \
engv+=inum; \
} \
} \
ans[ii]=f; \
}
#define store_answers_q(f, energy, e_coul, virial, ii, inum, tid, \
t_per_atom, offset, eflag, vflag, ans, engv) \
if (t_per_atom>1) { \
__local acctyp red_acc[6][BLOCK_PAIR]; \
red_acc[0][tid]=f.x; \
red_acc[1][tid]=f.y; \
red_acc[2][tid]=f.z; \
red_acc[3][tid]=energy; \
red_acc[4][tid]=e_coul; \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
if (offset < s) { \
for (int r=0; r<5; r++) \
red_acc[r][tid] += red_acc[r][tid+s]; \
} \
} \
f.x=red_acc[0][tid]; \
f.y=red_acc[1][tid]; \
f.z=red_acc[2][tid]; \
energy=red_acc[3][tid]; \
e_coul=red_acc[4][tid]; \
if (vflag>0) { \
for (int r=0; r<6; r++) \
red_acc[r][tid]=virial[r]; \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
if (offset < s) { \
for (int r=0; r<6; r++) \
red_acc[r][tid] += red_acc[r][tid+s]; \
} \
} \
for (int r=0; r<6; r++) \
virial[r]=red_acc[r][tid]; \
} \
} \
if (offset==0) { \
engv+=ii; \
if (eflag>0) { \
*engv=energy; \
engv+=inum; \
*engv=e_coul; \
engv+=inum; \
} \
if (vflag>0) { \
for (int i=0; i<6; i++) { \
*engv=virial[i]; \
engv+=inum; \
} \
} \
ans[ii]=f; \
}
#else
#define store_answers(f, energy, virial, ii, inum, tid, t_per_atom, offset, \
eflag, vflag, ans, engv) \
if (t_per_atom>1) { \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
f.x += shfl_xor(f.x, s, t_per_atom); \
f.y += shfl_xor(f.y, s, t_per_atom); \
f.z += shfl_xor(f.z, s, t_per_atom); \
energy += shfl_xor(energy, s, t_per_atom); \
} \
if (vflag>0) { \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
for (int r=0; r<6; r++) \
virial[r] += shfl_xor(virial[r], s, t_per_atom); \
} \
} \
} \
if (offset==0) { \
engv+=ii; \
if (eflag>0) { \
*engv=energy; \
engv+=inum; \
} \
if (vflag>0) { \
for (int i=0; i<6; i++) { \
*engv=virial[i]; \
engv+=inum; \
} \
} \
ans[ii]=f; \
}
#define store_answers_q(f, energy, e_coul, virial, ii, inum, tid, \
t_per_atom, offset, eflag, vflag, ans, engv) \
if (t_per_atom>1) { \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
f.x += shfl_xor(f.x, s, t_per_atom); \
f.y += shfl_xor(f.y, s, t_per_atom); \
f.z += shfl_xor(f.z, s, t_per_atom); \
energy += shfl_xor(energy, s, t_per_atom); \
e_coul += shfl_xor(e_coul, s, t_per_atom); \
} \
if (vflag>0) { \
for (unsigned int s=t_per_atom/2; s>0; s>>=1) { \
for (int r=0; r<6; r++) \
virial[r] += shfl_xor(virial[r], s, t_per_atom); \
} \
} \
} \
if (offset==0) { \
engv+=ii; \
if (eflag>0) { \
*engv=energy; \
engv+=inum; \
*engv=e_coul; \
engv+=inum; \
} \
if (vflag>0) { \
for (int i=0; i<6; i++) { \
*engv=virial[i]; \
engv+=inum; \
} \
} \
ans[ii]=f; \
}
#endif

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