Added fallback flags to indicate which terms are ready from the GPU lib

This commit is contained in:
Trung Nguyen
2021-09-01 14:51:36 -05:00
parent 785a794d39
commit 7e0c77f1cb

View File

@ -104,6 +104,12 @@ PairAmoebaGPU::~PairAmoebaGPU()
void PairAmoebaGPU::polar_real()
{
bool gpu_polar_real_ready = true;
if (!gpu_polar_real_ready) {
PairAmoeba::polar_real();
return;
}
int eflag=1, vflag=1;
int nall = atom->nlocal + atom->nghost;
int inum, host_start;
@ -292,6 +298,12 @@ void PairAmoebaGPU::init_style()
void PairAmoebaGPU::udirect2b(double **field, double **fieldp)
{
bool gpu_udirect2b_ready = false;
if (!gpu_udirect2b_ready) {
PairAmoeba::udirect2b(field, fieldp);
return;
}
int eflag=1, vflag=1;
int nall = atom->nlocal + atom->nghost;
int inum, host_start;
@ -354,10 +366,6 @@ void PairAmoebaGPU::udirect2b_cpu()
int inum,jnum;
int *ilist,*jlist,*numneigh,**firstneigh;
// launching the kernel to compute field and fieldp
// amoeba_gpu_compute_field(...);
double **x = atom->x;
// neigh list