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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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49
lib/gpu/lal_base_amoeba.cpp
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@ -90,7 +90,7 @@ int BaseAmoebaT::init_atomic(const int nlocal, const int nall,
bool vel = false;
_extra_fields = 24; // round up to accomodate quadruples of numtyp values
// rpole 13; uind 3; uinp 3; amtype, amgroup; pval
int success=device->init(*ans,charge,rot,nlocal,nall,maxspecial,vel,_extra_fields);
int success=device->init(*ans,charge,rot,nlocal,nall,maxspecial,vel,_extra_fields/4);
if (success!=0)
return success;
@ -820,35 +820,35 @@ void BaseAmoebaT::cast_extra_data(int* amtype, int* amgroup, double** rpole,
atom->extra_data_unavail();
int _nall=atom->nall();
numtyp *pextra=reinterpret_cast<numtyp*>(&(atom->extra[0]));
numtyp4 *pextra=reinterpret_cast<numtyp4*>(&(atom->extra[0]));
int n = 0;
int nstride = 4;
int nstride = 1; //4;
if (rpole) {
for (int i = 0; i < _nall; i++) {
int idx = n+i*nstride;
pextra[idx] = rpole[i][0];
pextra[idx+1] = rpole[i][1];
pextra[idx+2] = rpole[i][2];
pextra[idx+3] = rpole[i][3];
pextra[idx].x = rpole[i][0];
pextra[idx].y = rpole[i][1];
pextra[idx].z = rpole[i][2];
pextra[idx].w = rpole[i][3];
}
n += nstride*_nall;
for (int i = 0; i < _nall; i++) {
int idx = n+i*nstride;
pextra[idx] = rpole[i][4];
pextra[idx+1] = rpole[i][5];
pextra[idx+2] = rpole[i][6];
pextra[idx+3] = rpole[i][8];
pextra[idx].x = rpole[i][4];
pextra[idx].y = rpole[i][5];
pextra[idx].z = rpole[i][6];
pextra[idx].w = rpole[i][8];
}
n += nstride*_nall;
for (int i = 0; i < _nall; i++) {
int idx = n+i*nstride;
pextra[idx] = rpole[i][9];
pextra[idx+1] = rpole[i][12];
pextra[idx+2] = (numtyp)amtype[i];
pextra[idx+3] = (numtyp)amgroup[i];
pextra[idx].x = rpole[i][9];
pextra[idx].y = rpole[i][12];
pextra[idx].z = (numtyp)amtype[i];
pextra[idx].w = (numtyp)amgroup[i];
}
} else {
n += 2*nstride*_nall;
@ -858,9 +858,10 @@ void BaseAmoebaT::cast_extra_data(int* amtype, int* amgroup, double** rpole,
if (uind) {
for (int i = 0; i < _nall; i++) {
int idx = n+i*nstride;
pextra[idx] = uind[i][0];
pextra[idx+1] = uind[i][1];
pextra[idx+2] = uind[i][2];
pextra[idx].x = uind[i][0];
pextra[idx].y = uind[i][1];
pextra[idx].z = uind[i][2];
pextra[idx].w = 0;
}
}
@ -868,9 +869,10 @@ void BaseAmoebaT::cast_extra_data(int* amtype, int* amgroup, double** rpole,
if (uinp) {
for (int i = 0; i < _nall; i++) {
int idx = n+i*nstride;
pextra[idx] = uinp[i][0];
pextra[idx+1] = uinp[i][1];
pextra[idx+2] = uinp[i][2];
pextra[idx].x = uinp[i][0];
pextra[idx].y = uinp[i][1];
pextra[idx].z = uinp[i][2];
pextra[idx].w = 0;
}
}
@ -878,7 +880,10 @@ void BaseAmoebaT::cast_extra_data(int* amtype, int* amgroup, double** rpole,
if (pval) {
for (int i = 0; i < _nall; i++) {
int idx = n+i*nstride;
pextra[idx] = pval[i];
pextra[idx].x = pval[i];
pextra[idx].y = 0;
pextra[idx].z = 0;
pextra[idx].w = 0;
}
}
}