Fix tagint usage (43a99362) · Commits · 郑智淋 / lammps

lib/gpu/lal_lj_tip4p_long.cpp

+14 −10

Original line number	Diff line number	Diff line
		@@ -235,22 +235,26 @@ void LJTIP4PLongT::copy_relations_data(int n, tagint tag, int map_array,

		m.resize_ib(n);
		m.zero();

		if (ago == 0) {
		hneight.zero();
		UCL_H_Vec<int> host_tag_write(nall,*(this->ucl_device),UCL_WRITE_ONLY);

		{
		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);
		}

		host_tag_write.resize_ib(max_same);
		UCL_H_Vec<int> host_write(max_same,*(this->ucl_device),UCL_WRITE_ONLY);
		this->atom_sametag.resize_ib(max_same);
		for(int i=0; i<max_same; ++i) host_tag_write[i] = sametag[i];
		ucl_copy(this->atom_sametag, host_tag_write, max_same, false);
		for(int i=0; i<max_same; ++i) host_write[i] = sametag[i];
		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);
		for(int i=0; i<map_size; ++i) host_tag_write[i] = map_array[i];
		ucl_copy(this->map_array, host_tag_write, map_size, false);
		for(int i=0; i<map_size; ++i) host_write[i] = map_array[i];
		ucl_copy(this->map_array, host_write, map_size, false);
		}
		}

+12 −2

Original line number	Diff line number	Diff line
		@@ -16,6 +16,16 @@
		#ifdef NV_KERNEL

		#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
		texture<float4> pos_tex;
		texture<float> q_tex;
		@@ -29,7 +39,7 @@ texture<int2> q_tex;
		#define q_tex q_
		#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];
		}

		@@ -170,7 +180,7 @@ __kernel void k_lj_tip4p_reneigh(const __global numtyp4 *restrict x_,
		__global int *restrict hneigh,
		__global numtyp4 *restrict m,
		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) {
		int tid, ii, offset;
		atom_info(t_per_atom,ii,tid,offset);

+1 −1

Original line number	Diff line number	Diff line
		@@ -110,7 +110,7 @@ public:
		UCL_D_Vec<acctyp4> ansO; // force applied to virtual particle
		// 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> atom_sametag;