diff --git a/src/GPU/pair_amoeba_gpu.cpp b/src/GPU/pair_amoeba_gpu.cpp index 3f4e72c0af..3cdaa25633 100644 --- a/src/GPU/pair_amoeba_gpu.cpp +++ b/src/GPU/pair_amoeba_gpu.cpp @@ -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