[AMBER] Illegal Memory Access

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From: Oke, Elizabeth Damilola via AMBER <amber.ambermd.org>
Date: Thu, 12 Jun 2025 15:30:33 +0000

Hi all,

I've been encountering an issue with running GaMD with AMBER. I receive the error message 'Illegal memory access was encountered launching kernel kClearforces.'

The minimization runs perfectly. The error appears when running the equilibration. The timestep for heating is already at 0.001. I have also tried running on the CPU with Sander, but it still could not be resolved.

I would appreciate any information or leads that could help resolve this issue.

Thank you,
Elizabeth

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Received on Thu Jun 12 2025 - 09:00:02 PDT