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Make integrate kernels aware of neighbour list update

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This commit is contained in:
Maximilian Gaul
2022-01-24 18:04:50 +01:00
parent 7b592b5fc7
commit c4080e866e
2 changed files with 10 additions and 9 deletions
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5
src/main.c
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@@ -280,7 +280,7 @@ int main(int argc, char** argv)
const bool doReneighbour = (n + 1) % param.every == 0;
cuda_initial_integrate(doReneighbour, &param, &atom); // initialIntegrate(&param, &atom);
cuda_initial_integrate(doReneighbour, &param, &atom);
if(doReneighbour) {
timer[NEIGH] += reneighbour(&param, &atom, &neighbor);
@@ -297,7 +297,8 @@ int main(int argc, char** argv)
timer[FORCE] += computeForce(doReneighbour, &param, &atom, &neighbor);
#endif
}
cuda_final_integrate(doReneighbour, &param, &atom); // finalIntegrate(&param, &atom);
cuda_final_integrate(doReneighbour, &param, &atom);
if(!((n + 1) % param.nstat) && (n+1) < param.ntimes) {
computeThermo(n + 1, &param, &atom);