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keep K80 to be usable #846

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Jan 3, 2025
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keep K80 to be usable #846

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17 changes: 17 additions & 0 deletions src/force/nep_small_box.cuh
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Original file line number Diff line number Diff line change
Expand Up @@ -19,6 +19,23 @@
#include "utilities/nep_utilities.cuh"
#include "utilities/gpu_macro.cuh"

#ifdef USE_KEPLER
#if defined(__CUDA_ARCH__) && (__CUDA_ARCH__ < 600)
static __device__ __inline__ double atomicAdd(double* address, double val)
{
unsigned long long* address_as_ull = (unsigned long long*)address;
unsigned long long old = *address_as_ull, assumed;
do {
assumed = old;
old =
atomicCAS(address_as_ull, assumed, __double_as_longlong(val + __longlong_as_double(assumed)));

} while (assumed != old);
return __longlong_as_double(old);
}
#endif
#endif

static __device__ void apply_mic_small_box(
const Box& box, const NEP::ExpandedBox& ebox, double& x12, double& y12, double& z12)
{
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