On Wed, Nov 06, 2019, Debarati DasGupta wrote:
>Trying to do TI setup for an ethanol molecule in water…
>I am still getting my output files generated but my slurm.out file has
>this big page of errors… ANYTHING wrong that I am doing?
Run a *short* simulation with pmemd (not pmemd.MPI). Don't use slurm
(if possible): just run a minute or so in interactive mode. It's not
even clear from what you wrote which step is running when you get the
error.
If the error seems gone, switch to pmemd.MPI -- again just a few steps,
avoiding any queueing system.
>*** Error in `/usr/local/amber18/bin/pmemd.MPI': corrupted size vs. prev_size: 0x00000000024e89a0 ***
I don't recognize this error, for whatever that might be worth :=)
...dac
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Received on Wed Nov 06 2019 - 14:30:01 PST
