Initial refactoring of CUDA code
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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@@ -261,9 +261,8 @@ int main(int argc, char** argv) {
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if(!((n + 1) % param.nstat) && (n+1) < param.ntimes) {
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#ifdef CUDA_TARGET
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checkCUDAError("computeThermo atom->x memcpy back", cudaMemcpy(atom.x, c_atom.x, atom.Nmax * sizeof(MD_FLOAT) * 3, cudaMemcpyDeviceToHost));
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memcpyFromGPU(atom.x, c_atom.x, atom.Nmax * sizeof(MD_FLOAT) * 3);
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#endif
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computeThermo(n + 1, ¶m, &atom);
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}
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