[AMBER] Issue running sander

From: Vento, Gabby <Christopher.Vento.rockets.utoledo.edu>
Date: Wed, 25 Aug 2021 20:22:09 +0000

Hello everyone,

I keep getting an error message when I try to run my script that says "slurmstepd: error: execve(): sander.MPI: No such file or directory". What does this mean and how do I fix it?

This is the script I am trying to run:

srun sander.MPI -O -i mini -o mini.out -p ../PREP/WT_ATR_solvate.top -c ../PREP/WT_ATR_solvate.crd -r mini.rst -ref ../PREP/WT_ATR_solvate.crd

-Gabby Vento, M.S.
(she / her / hers)
College of Medicine and Life Sciences
Doctoral Student: Biomedical Sciences - Bioinformatics

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Received on Wed Aug 25 2021 - 13:30:02 PDT
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