diff --git a/lib/gpu/lal_born_coul_long_cs.cu b/lib/gpu/lal_born_coul_long_cs.cu index 69503ba420..6f04fcea94 100644 --- a/lib/gpu/lal_born_coul_long_cs.cu +++ b/lib/gpu/lal_born_coul_long_cs.cu @@ -109,7 +109,7 @@ __kernel void k_born_coul_long_cs(const __global numtyp4 *restrict x_, numtyp rsq = delx*delx+dely*dely+delz*delz; int mtype=itype*lj_types+jtype; - if (rsq0) uf3[tid]=uf3_in[tid]; } - + acctyp energy=(acctyp)0; acctyp4 f; f.x=(acctyp)0; f.y=(acctyp)0; f.z=(acctyp)0; @@ -132,7 +132,7 @@ __kernel void k_ufm_fast(const __global numtyp4 *restrict x_, virial[i]=(acctyp)0; __syncthreads(); - + if (ii0) energy += (param3_bigh*reta+vc2-vc3-param3_bigw*r6inv-r*param3_dvrc+param3_c0); - + if (vflag>0) { virial[0] += delx*delx*force; virial[1] += dely*dely*force; @@ -471,13 +471,13 @@ __kernel void k_vashishta_three_center(const __global numtyp4 *restrict x_, numtyp rsq1 = delr1x*delr1x+delr1y*delr1y+delr1z*delr1z; int ijparam=elem2param[itype*nelements*nelements+jtype*nelements+jtype]; - + numtyp4 param4_ijparam; fetch4(param4_ijparam,ijparam,param4_tex); param_r0sq_ij=param4_ijparam.x; if (rsq1 > param_r0sq_ij) continue; // still keep this for neigh no and tpa > 1 param_gamma_ij=param4_ijparam.y; param_r0_ij=param4_ijparam.w; - + int nbor_k,k_end; if (dev_packed==dev_nbor) { nbor_k=nborj_start-offset_j+offset_k; @@ -619,7 +619,7 @@ __kernel void k_vashishta_three_end(const __global numtyp4 *restrict x_, param_gamma_ij=param4_ijparam.y; param_r0_ij = param4_ijparam.w; - + int nbor_k,numk; if (dev_nbor==dev_packed) { if (gpu_nbor) nbor_k=j+nbor_pitch; @@ -665,14 +665,14 @@ __kernel void k_vashishta_three_end(const __global numtyp4 *restrict x_, if (rsq2 < param_r0sq_ik) { param_gamma_ik=param4_ikparam.y; param_r0_ik=param4_ikparam.w; - + int ijkparam=elem2param[jtype*nelements*nelements+itype*nelements+ktype]; //jik numtyp4 param5_ijkparam; fetch4(param5_ijkparam,ijkparam,param5_tex); param_bigc_ijk=param5_ijkparam.x; param_costheta_ijk=param5_ijkparam.y; param_bigb_ijk=param5_ijkparam.z; param_big2b_ijk=param5_ijkparam.w; - + numtyp fjx, fjy, fjz; //if (evatom==0) { threebody_half(delr1x,delr1y,delr1z); @@ -774,7 +774,7 @@ __kernel void k_vashishta_three_end_vatom(const __global numtyp4 *restrict x_, param_gamma_ij=param4_ijparam.y; param_r0_ij=param4_ijparam.w; - + int nbor_k,numk; if (dev_nbor==dev_packed) { if (gpu_nbor) nbor_k=j+nbor_pitch; @@ -827,7 +827,7 @@ __kernel void k_vashishta_three_end_vatom(const __global numtyp4 *restrict x_, param_costheta_ijk=param5_ijkparam.y; param_bigb_ijk=param5_ijkparam.z; param_big2b_ijk=param5_ijkparam.w; - + numtyp fjx, fjy, fjz, fkx, fky, fkz; threebody(delr1x,delr1y,delr1z,eflag,energy);