Delete "float.h" from TIP4P GPU kernel for better OpenCL compatibility (66a076b8) · Commits · 郑智淋 / lammps

lib/gpu/lal_lj_tip4p_long.cu

+5 −5

Original line number	Diff line number	Diff line
		@@ -29,8 +29,6 @@ texture<int2> q_tex;
		#define q_tex q_
		#endif

		#include <float.h>

		ucl_inline int atom_mapping(const __global int *map, int glob){
		return map[glob];
		}
		@@ -184,6 +182,8 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
		int tid, ii, offset;
		atom_info(t_per_atom,ii,tid,offset);

		const numtyp eq_zero = 1e-6;

		acctyp energy = (acctyp)0;
		acctyp e_coul = (acctyp)0;
		acctyp4 f, fO;
		@@ -230,7 +230,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
		iH1 = hneigh[i*4 ];
		iH2 = hneigh[i*4+1];
		}
		if(fabs(m[iO].w) <= FLT_EPSILON) {
		if(fabs(m[iO].w) <= eq_zero) {
		compute_newsite(iO,iH1,iH2, &m[iO], alpha, x_);
		m[iO].w = qtmp;
		}
		@@ -270,7 +270,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
		}
		if (iO >= inum) {
		non_local_oxy = 1;
		if(fabs(m[iO].w) <= FLT_EPSILON) {
		if(fabs(m[iO].w) <= eq_zero) {
		compute_newsite(iO,iH1,iH2, &m[iO], alpha, x_);
		numtyp qO; fetch(qO,iO,q_tex);
		m[iO].w = qO;
		@@ -346,7 +346,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
		jH1 = hneigh[j*4 ];
		jH2 = hneigh[j*4+1];
		}
		if (fabs(m[j].w) <= FLT_EPSILON) {
		if (fabs(m[j].w) <= eq_zero) {
		compute_newsite(j, jH1, jH2, &m[j], alpha, x_);
		m[j].w = qj;
		}