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intel oneapi 2021.3.0-3230 #4

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YifanShenSZ opened this issue Sep 15, 2021 · 1 comment
Open

intel oneapi 2021.3.0-3230 #4

YifanShenSZ opened this issue Sep 15, 2021 · 1 comment

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@YifanShenSZ
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YifanShenSZ commented Sep 15, 2021

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

@YifanShenSZ YifanShenSZ changed the title intel oneapi intel oneapi 2021.3.0-3230 Sep 15, 2021
@YifanShenSZ
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same issue for 2021.4.0

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