diff --git a/source/op/prod_virial_grad_multi_device.cc b/source/op/prod_virial_grad_multi_device.cc index ac74d1d141..d8c8898c37 100644 --- a/source/op/prod_virial_grad_multi_device.cc +++ b/source/op/prod_virial_grad_multi_device.cc @@ -117,7 +117,7 @@ class ProdVirialSeAGradOp : public OpKernel // loop over frames for (int kk = 0; kk < nframes; ++kk){ FPTYPE * grad_net = p_grad_net + kk * nloc * ndescrpt; - const FPTYPE * grad = p_grad + kk * nloc * 3; + const FPTYPE * grad = p_grad + kk * 9; const FPTYPE * in_deriv = p_in_deriv + kk * nloc * ndescrpt * 3; const FPTYPE * rij = p_rij + kk * nloc * nnei * 3; const int * nlist = p_nlist + kk * nloc * nnei; @@ -229,7 +229,7 @@ class ProdVirialSeRGradOp : public OpKernel // loop over frames for (int kk = 0; kk < nframes; ++kk){ FPTYPE * grad_net = p_grad_net + kk * nloc * ndescrpt; - const FPTYPE * grad = p_grad + kk * nloc * 3; + const FPTYPE * grad = p_grad + kk * 9; const FPTYPE * in_deriv = p_in_deriv + kk * nloc * ndescrpt * 3; const FPTYPE * rij = p_rij + kk * nloc * nnei * 3; const int * nlist = p_nlist + kk * nloc * nnei; @@ -272,4 +272,4 @@ REGISTER_KERNEL_BUILDER( ProdVirialSeRGradOp); REGISTER_GPU(float); REGISTER_GPU(double); -#endif // GOOGLE_CUDA \ No newline at end of file +#endif // GOOGLE_CUDA