On Thu, Apr 09, 2026, ULPG:Hickey.Niamh via AMBER wrote:
>
>I am using Amber with the SIRAH force field on our national HPC. When I try
>to restart my simulation, I get an MPI error.
I didn't spot any obvious error in your command lines. Here is generic (non
SIRAH specific) advice:
1. Please copy and paste the exact error messages you receive. Just saying
"MPI error" is not very informative.
2. Try to restart a short simulation without using MPI: that often gives
more informative error messages. Again, try to provide the exact error
messages you receive.
3. Run an internet search on the error message -- especially with today's AI
enchanced search engines, doing this often (not always!) gives helpful
results.
...good luck...dac
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Received on Thu Apr 09 2026 - 09:30:02 PDT
