diff --git a/lib/gpu/lal_lj_tip4p_long.cu b/lib/gpu/lal_lj_tip4p_long.cu index 21fb1a91c8..74ee7a9036 100644 --- a/lib/gpu/lal_lj_tip4p_long.cu +++ b/lib/gpu/lal_lj_tip4p_long.cu @@ -218,15 +218,6 @@ __kernel void k_lj_tip4p_reneigh(const __global numtyp4 *restrict x_, iH1 = closest_image(i, iH1, sametag, x_); iH2 = closest_image(i, iH2, sametag, x_); - //printf("%d %f %f %f\n", (iH1 < 0 || iH2 < 0) ? 0:1, ix.x, ix.y, ix.z ); - /* - if (iH1 < 0) { - printf("i=%d\ttag[i]=%d\tmap[tag[i]-1]=%d\tmap[tag[i]-2]=%d\n", i, tag[i], map[tag[i]+1], map[tag[i]+2]); - } - if (iH2 < 0) { - printf("i=%d\ttag[i]=%d\tmap[tag[i]-1]=%d\tmap[tag[i]-2]=%d\n", i, tag[i], map[tag[i]+1], map[tag[i]+2]); - }*/ - hneigh[i*4 ] = iH1; hneigh[i*4+1] = iH2; hneigh[i*4+2] = -1; @@ -237,25 +228,12 @@ __kernel void k_lj_tip4p_reneigh(const __global numtyp4 *restrict x_, int iI, iH; iI = atom_mapping(map,tag[i] - 1); iO = closest_image(i,iI,sametag, x_); - //printf("%d %f %f %f\n", (iI < 0) ? 2:3, ix.x, ix.y, ix.z ); - /* - // printf("iI = %d iO closest = %d\n",iI, iO); - if (iI < 0) { - printf("i=%d\ttag[i]=%d\tmap[tag[i]-1]=%d\tmap[tag[i]-2]=%d\n", i, tag[i], map[tag[i]-1],map[tag[i]-2]); - }*/ numtyp4 iIx; fetch4(iIx,iO,pos_tex); //x_[iI]; if ((int)iIx.w == typeH) { iO = atom_mapping(map,tag[i] - 2); iO = closest_image(i, iO, sametag, x_); - //iH1 = closest_image(i, iI, sametag, x_); - //iH2 = i; - } else { //if ((int)iIx.w == typeO) - //iH = atom_mapping(map, tag[i] + 1); - //iO = closest_image(i,iI,sametag, x_); - //iH1 = i; - //iH2 = closest_image(i,iH,sametag, x_); - } - hneigh[i*4+0] = iO; + } + hneigh[i*4+0] = iO; hneigh[i*4+1] += -1; hneigh[i*4+2] = -1; }