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If compile with intel oneapi hpc toolkit 2021.3.0-3230, internal coordinate module dies at: at::Tensor cartHess = J.transpose(0, 1).mm(intHess.mm(J)) + at::matmul(intgrad, K); at::Tensor IntCoordSet::Hessian_int2cart(const at::Tensor & r, const at::Tensor & intgrad, const at::Tensor & intHess) const source/intcoord/IntCoordSet.cpp
My tests show that it fails in intHess.mm(J), switching to at::matmul(intHess, J) doesn't help. Probably some compiler issue
intHess.mm(J)
at::matmul(intHess, J)
The text was updated successfully, but these errors were encountered:
same issue for 2021.4.0
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If compile with intel oneapi hpc toolkit 2021.3.0-3230, internal coordinate module dies at:
at::Tensor cartHess = J.transpose(0, 1).mm(intHess.mm(J)) + at::matmul(intgrad, K);
at::Tensor IntCoordSet::Hessian_int2cart(const at::Tensor & r, const at::Tensor & intgrad, const at::Tensor & intHess) const
source/intcoord/IntCoordSet.cpp
My tests show that it fails in
intHess.mm(J)
, switching toat::matmul(intHess, J)
doesn't help. Probably some compiler issueThe text was updated successfully, but these errors were encountered: