On Tue, May 06, 2025, Devid Sahu via AMBER wrote:
>
>I encountered a fatal error while running a minimization using `pmemd.cuda`
>in Amber22. The job aborts with the following message:
>
>double free or corruption (out)
>Program received signal SIGABRT: Process abort signal.
Simplest thing is to run the minimization using sander, with ntmin=3. In
many cases, you can then switch back to pmemd.cuda for further simualation.
If this fails, we will probably need to know enough about the system to try
to reproduce the problem.
...dac
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Received on Tue May 06 2025 - 07:00:02 PDT
