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Fix tagint usage

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This commit is contained in:
Vsevak
2020-01-19 00:57:45 +03:00
parent d1f3f659ac
commit 43a9936241
3 changed files with 27 additions and 13 deletions
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24
lib/gpu/lal_lj_tip4p_long.cpp
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@ -235,22 +235,26 @@ void LJTIP4PLongT::copy_relations_data(int n, tagint *tag, int *map_array,
m.resize_ib(n); m.resize_ib(n);
m.zero(); m.zero();
if (ago == 0) { if (ago == 0) {
hneight.zero(); hneight.zero();
UCL_H_Vec<int> host_tag_write(nall,*(this->ucl_device),UCL_WRITE_ONLY);
this->tag.resize_ib(nall);
for(int i=0; i<nall; ++i) host_tag_write[i] = tag[i];
ucl_copy(this->tag, host_tag_write, nall, false);
host_tag_write.resize_ib(max_same); {
UCL_H_Vec<tagint> host_tag_write(nall,*(this->ucl_device),UCL_WRITE_ONLY);
this->tag.resize_ib(nall);
for(int i=0; i<nall; ++i) host_tag_write[i] = tag[i];
ucl_copy(this->tag, host_tag_write, nall, false);
}
UCL_H_Vec<int> host_write(max_same,*(this->ucl_device),UCL_WRITE_ONLY);
this->atom_sametag.resize_ib(max_same); this->atom_sametag.resize_ib(max_same);
for(int i=0; i<max_same; ++i) host_tag_write[i] = sametag[i]; for(int i=0; i<max_same; ++i) host_write[i] = sametag[i];
ucl_copy(this->atom_sametag, host_tag_write, max_same, false); ucl_copy(this->atom_sametag, host_write, max_same, false);
host_tag_write.resize_ib(map_size); host_write.resize_ib(map_size);
this->map_array.resize_ib(map_size); this->map_array.resize_ib(map_size);
for(int i=0; i<map_size; ++i) host_tag_write[i] = map_array[i]; for(int i=0; i<map_size; ++i) host_write[i] = map_array[i];
ucl_copy(this->map_array, host_tag_write, map_size, false); ucl_copy(this->map_array, host_write, map_size, false);
} }
} }

14
lib/gpu/lal_lj_tip4p_long.cu
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@ -16,6 +16,16 @@
#ifdef NV_KERNEL #ifdef NV_KERNEL
#include "lal_aux_fun1.h" #include "lal_aux_fun1.h"
#ifdef LAMMPS_SMALLBIG
#define tagint int
#endif
#ifdef LAMMPS_BIGBIG
#include "inttypes.h"
#define tagint int64_t
#endif
#ifdef LAMMPS_SMALLSMALL
#define tagint int
#endif
#ifndef _DOUBLE_DOUBLE #ifndef _DOUBLE_DOUBLE
texture<float4> pos_tex; texture<float4> pos_tex;
texture<float> q_tex; texture<float> q_tex;
@ -29,7 +39,7 @@ texture<int2> q_tex;
#define q_tex q_ #define q_tex q_
#endif #endif
ucl_inline int atom_mapping(const __global int *map, int glob) { ucl_inline int atom_mapping(const __global int *map, tagint glob) {
return map[glob]; return map[glob];
} }
@ -170,7 +180,7 @@ __kernel void k_lj_tip4p_reneigh(const __global numtyp4 *restrict x_,
__global int *restrict hneigh, __global int *restrict hneigh,
__global numtyp4 *restrict m, __global numtyp4 *restrict m,
const int typeO, const int typeH, const int typeO, const int typeH,
const __global int *restrict tag, const __global int *restrict map, const __global tagint *restrict tag, const __global int *restrict map,
const __global int *restrict sametag) { const __global int *restrict sametag) {
int tid, ii, offset; int tid, ii, offset;
atom_info(t_per_atom,ii,tid,offset); atom_info(t_per_atom,ii,tid,offset);

2
lib/gpu/lal_lj_tip4p_long.h
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@ -110,7 +110,7 @@ public:
UCL_D_Vec<acctyp4> ansO; // force applied to virtual particle UCL_D_Vec<acctyp4> ansO; // force applied to virtual particle
// UCL_D_Vec<acctyp4> force_comp; // UCL_D_Vec<acctyp4> force_comp;
UCL_D_Vec<int> tag; UCL_D_Vec<tagint> tag;
UCL_D_Vec<int> map_array; UCL_D_Vec<int> map_array;
UCL_D_Vec<int> atom_sametag; UCL_D_Vec<int> atom_sametag;