[AMBER] Error testing pmemd.cuda: "Illegal instruction (core dumped)"

From: Skanda Sastry via AMBER <amber.ambermd.org>
Date: Fri, 27 Sep 2024 13:59:18 -0700

Hello all,

I am attempting to build Amber20 from source - I have successfully
compiled/built with flags DMPI, DCUDA, and DNCCL all on. However, when I
try to test the pmemd.cuda code using "make test.cuda.serial", all tests
have the error "Illegal instruction (core dumped)". This is occurring
regardless of GPU, both on NVIDIA L40S and A100 GPUs.

Can anyone help me resolve this error? All the error outputs say
"(ignored)" but if I ignore the errors for all of these 200 tests then I
have no way to test my pmemd.cuda build.

Regards,
Skanda
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Received on Fri Sep 27 2024 - 14:30:02 PDT
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