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