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Fixed the issues with some OpenCL implementation to avoid errors casting changing the pointer address spaces

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This commit is contained in:
Trung Nguyen
2023-01-25 00:02:25 -06:00
parent b206b4d1f6
commit adf43d7fee
5 changed files with 106 additions and 112 deletions
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114
lib/gpu/lal_hippo.cu
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@ -410,7 +410,7 @@ _texture( q_tex,int2);
------------------------------------------------------------------------- */
__kernel void k_hippo_repulsion(const __global numtyp4 *restrict x_,
const __global numtyp *restrict extra,
const __global numtyp4 *restrict extra,
const __global numtyp4 *restrict coeff_rep,
const __global numtyp4 *restrict sp_nonpolar,
const __global int *dev_nbor,
@ -444,9 +444,9 @@ __kernel void k_hippo_repulsion(const __global numtyp4 *restrict x_,
acctyp4 tq;
tq.x=(acctyp)0; tq.y=(acctyp)0; tq.z=(acctyp)0;
numtyp4* polar1 = (numtyp4*)(&extra[0]);
numtyp4* polar2 = (numtyp4*)(&extra[4*nall]);
numtyp4* polar3 = (numtyp4*)(&extra[8*nall]);
const __global numtyp4* polar1 = &extra[0];
const __global numtyp4* polar2 = &extra[nall];
const __global numtyp4* polar3 = &extra[2*nall];
if (ii<inum) {
int numj, nbor, nbor_end;
@ -495,8 +495,6 @@ __kernel void k_hippo_repulsion(const __global numtyp4 *restrict x_,
numtyp zr = jx.z - ix.z;
numtyp r2 = xr*xr + yr*yr + zr*zr;
if (r2>off2) continue;
const numtyp4 pol1j = polar1[j];
//numtyp ck = pol1j.x; // rpole[j][0];
numtyp dkx = pol1j.y; // rpole[j][1];
@ -712,7 +710,7 @@ __kernel void k_hippo_repulsion(const __global numtyp4 *restrict x_,
------------------------------------------------------------------------- */
__kernel void k_hippo_dispersion(const __global numtyp4 *restrict x_,
const __global numtyp *restrict extra,
const __global numtyp4 *restrict extra,
const __global numtyp4 *restrict coeff_amtype,
const __global numtyp4 *restrict coeff_amclass,
const __global numtyp4 *restrict sp_nonpolar,
@ -741,7 +739,7 @@ __kernel void k_hippo_dispersion(const __global numtyp4 *restrict x_,
for (int l=0; l<6; l++) virial[l]=(acctyp)0;
}
numtyp4* polar3 = (numtyp4*)(&extra[8*nall]);
const __global numtyp4* polar3 = &extra[2*nall];
if (ii<inum) {
int itype,iclass;
@ -890,7 +888,7 @@ __kernel void k_hippo_dispersion(const __global numtyp4 *restrict x_,
------------------------------------------------------------------------- */
__kernel void k_hippo_multipole(const __global numtyp4 *restrict x_,
const __global numtyp *restrict extra,
const __global numtyp4 *restrict extra,
const __global numtyp4 *restrict coeff_amtype,
const __global numtyp4 *restrict coeff_amclass,
const __global numtyp4 *restrict sp_polar,
@ -924,15 +922,12 @@ __kernel void k_hippo_multipole(const __global numtyp4 *restrict x_,
acctyp4 tq;
tq.x=(acctyp)0; tq.y=(acctyp)0; tq.z=(acctyp)0;
numtyp4* polar1 = (numtyp4*)(&extra[0]);
numtyp4* polar2 = (numtyp4*)(&extra[4*nall]);
numtyp4* polar3 = (numtyp4*)(&extra[8*nall]);
numtyp4* polar6 = (numtyp4*)(&extra[20*nall]);
const __global numtyp4* polar1 = &extra[0];
const __global numtyp4* polar2 = &extra[nall];
const __global numtyp4* polar3 = &extra[2*nall];
const __global numtyp4* polar6 = &extra[5*nall];
if (ii<inum) {
int m;
int itype,iclass;
int numj, nbor, nbor_end;
const __global int* nbor_mem=dev_packed;
nbor_info(dev_nbor,dev_packed,nbor_pitch,t_per_atom,ii,offset,i,numj,
@ -960,9 +955,8 @@ __kernel void k_hippo_multipole(const __global numtyp4 *restrict x_,
const numtyp4 pol3i = polar3[i];
numtyp qiyz = pol3i.x; // rpole[i][9];
numtyp qizz = pol3i.y; // rpole[i][12];
itype = pol3i.z; // amtype[i];
iclass = coeff_amtype[itype].w; // amtype2class[itype];
int itype = pol3i.z; // amtype[i];
int iclass = coeff_amtype[itype].w; // amtype2class[itype];
numtyp corei = coeff_amclass[iclass].z; // pcore[iclass];
numtyp alphai = coeff_amclass[iclass].w; // palpha[iclass];
numtyp vali = polar6[i].x;
@ -1084,6 +1078,7 @@ __kernel void k_hippo_multipole(const __global numtyp4 *restrict x_,
numtyp alsq2n = (numtyp)0.0;
if (aewald > (numtyp)0.0) alsq2n = (numtyp)1.0 / (MY_PIS*aewald);
int m;
for (m = 1; m < 6; m++) {
numtyp bfac = (numtyp) (m+m-1);
alsq2n = alsq2 * alsq2n;
@ -1208,32 +1203,32 @@ __kernel void k_hippo_multipole(const __global numtyp4 *restrict x_,
------------------------------------------------------------------------- */
__kernel void k_hippo_udirect2b(const __global numtyp4 *restrict x_,
const __global numtyp *restrict extra,
const __global numtyp4 *restrict extra,
const __global numtyp4 *restrict coeff_amtype,
const __global numtyp4 *restrict coeff_amclass,
const __global numtyp4 *restrict sp_polar,
const __global int *dev_nbor,
const __global int *dev_packed,
const __global int *dev_short_nbor,
__global acctyp4 *restrict fieldp,
const int inum, const int nall,
const int nbor_pitch, const int t_per_atom,
const numtyp aewald, const numtyp off2,
const numtyp polar_dscale, const numtyp polar_uscale)
const __global int *dev_packed,
const __global int *dev_short_nbor,
__global acctyp4 *restrict fieldp,
const int inum, const int nall,
const int nbor_pitch, const int t_per_atom,
const numtyp aewald, const numtyp off2,
const numtyp polar_dscale, const numtyp polar_uscale)
{
int tid, ii, offset, i;
atom_info(t_per_atom,ii,tid,offset);
int n_stride;
//local_allocate_store_charge();
local_allocate_store_charge();
acctyp _fieldp[6];
for (int l=0; l<6; l++) _fieldp[l]=(acctyp)0;
numtyp4* polar1 = (numtyp4*)(&extra[0]);
numtyp4* polar2 = (numtyp4*)(&extra[4*nall]);
numtyp4* polar3 = (numtyp4*)(&extra[8*nall]);
numtyp4* polar6 = (numtyp4*)(&extra[20*nall]);
const __global numtyp4* polar1 = &extra[0];
const __global numtyp4* polar2 = &extra[nall];
const __global numtyp4* polar3 = &extra[2*nall];
const __global numtyp4* polar6 = &extra[5*nall];
if (ii<inum) {
int numj, nbor, nbor_end;
@ -1388,7 +1383,7 @@ __kernel void k_hippo_udirect2b(const __global numtyp4 *restrict x_,
------------------------------------------------------------------------- */
__kernel void k_hippo_umutual2b(const __global numtyp4 *restrict x_,
const __global numtyp *restrict extra,
const __global numtyp4 *restrict extra,
const __global numtyp4 *restrict coeff_amtype,
const __global numtyp4 *restrict coeff_amclass,
const __global numtyp4 *restrict sp_polar,
@ -1405,14 +1400,14 @@ __kernel void k_hippo_umutual2b(const __global numtyp4 *restrict x_,
atom_info(t_per_atom,ii,tid,offset);
int n_stride;
//local_allocate_store_charge();
local_allocate_store_charge();
acctyp _fieldp[6];
for (int l=0; l<6; l++) _fieldp[l]=(acctyp)0;
numtyp4* polar3 = (numtyp4*)(&extra[8*nall]);
numtyp4* polar4 = (numtyp4*)(&extra[12*nall]);
numtyp4* polar5 = (numtyp4*)(&extra[16*nall]);
const __global numtyp4* polar3 = &extra[2*nall];
const __global numtyp4* polar4 = &extra[3*nall];
const __global numtyp4* polar5 = &extra[4*nall];
if (ii<inum) {
int numj, nbor, nbor_end;
@ -1539,27 +1534,26 @@ __kernel void k_hippo_umutual2b(const __global numtyp4 *restrict x_,
------------------------------------------------------------------------- */
__kernel void k_hippo_polar(const __global numtyp4 *restrict x_,
const __global numtyp *restrict extra,
const __global numtyp4 *restrict coeff_amtype,
const __global numtyp4 *restrict coeff_amclass,
const __global numtyp4 *restrict sp_polar,
const __global int *dev_nbor,
const __global int *dev_packed,
const __global int *dev_short_nbor,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
__global acctyp4 *restrict tep,
const int eflag, const int vflag, const int inum,
const int nall, const int nbor_pitch, const int t_per_atom,
const numtyp aewald, const numtyp felec,
const numtyp off2, const numtyp polar_dscale,
const numtyp polar_uscale)
const __global numtyp4 *restrict extra,
const __global numtyp4 *restrict coeff_amtype,
const __global numtyp4 *restrict coeff_amclass,
const __global numtyp4 *restrict sp_polar,
const __global int *dev_nbor,
const __global int *dev_packed,
const __global int *dev_short_nbor,
__global acctyp4 *restrict ans,
__global acctyp *restrict engv,
__global acctyp4 *restrict tep,
const int eflag, const int vflag, const int inum,
const int nall, const int nbor_pitch, const int t_per_atom,
const numtyp aewald, const numtyp felec,
const numtyp off2, const numtyp polar_dscale,
const numtyp polar_uscale)
{
int tid, ii, offset, i;
atom_info(t_per_atom,ii,tid,offset);
int n_stride;
local_allocate_store_ufld();
local_allocate_store_charge();
acctyp4 f;
@ -1577,14 +1571,13 @@ __kernel void k_hippo_polar(const __global numtyp4 *restrict x_,
for (int l=0; l<6; l++) dufld[l]=(acctyp)0;
numtyp dix,diy,diz,qixx,qixy,qixz,qiyy,qiyz,qizz;
numtyp4* polar1 = (numtyp4*)(&extra[0]);
numtyp4* polar2 = (numtyp4*)(&extra[4*nall]);
numtyp4* polar3 = (numtyp4*)(&extra[8*nall]);
numtyp4* polar4 = (numtyp4*)(&extra[12*nall]);
numtyp4* polar5 = (numtyp4*)(&extra[16*nall]);
numtyp4* polar6 = (numtyp4*)(&extra[20*nall]);
//numtyp4 xi__;
const __global numtyp4* polar1 = &extra[0];
const __global numtyp4* polar2 = &extra[nall];
const __global numtyp4* polar3 = &extra[2*nall];
const __global numtyp4* polar4 = &extra[3*nall];
const __global numtyp4* polar5 = &extra[4*nall];
const __global numtyp4* polar6 = &extra[5*nall];
if (ii<inum) {
int itype,igroup;
@ -1644,7 +1637,6 @@ __kernel void k_hippo_polar(const __global numtyp4 *restrict x_,
numtyp yr = jx.y - ix.y;
numtyp zr = jx.z - ix.z;
numtyp r2 = xr*xr + yr*yr + zr*zr;
numtyp r = ucl_sqrt(r2);
const numtyp4 pol1j = polar1[j];