Add Amber QuickByte stub

[gmfricke]

No description provided.

[xc1-hub]

Below are notes I took when I tried to run the script in this QuickByte. I will be ready to edit the new version of the QuickByte once some adjustments have been made.

1. Ran script as is, FAILED. Below is output from error file:
   Lmod Warning:

---

The following dependent module(s) are not currently loaded: openmpi/4.1.7-3ilj
(required by: amber/ambertools/25)

Inactive Modules:

1. fftw/3.3.10-ludd
   The following have been reloaded with a version change:
2. openmpi/4.1.7-3ilj => openmpi/4.1.7-e7k3
   Unit 9 Error on OPEN: /users/xochi/exdir/data/TXM-wbions-prod5-r1.rst

---

MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

srun: Job step aborted: Waiting up to 32 seconds for job step to finish.
slurmstepd: error: *** STEP 842577.0 ON easley031 CANCELLED AT 2026-06-29T18:09:29 ***
srun: error: easley031: tasks 0-1: Killed
srun: error: easley032: tasks 2-3: Killed

2. I checked which modules are available, saw that amber/ambertools/25 is available, and then loaded it:
   -Module load amber/ambertools/25 (to load)
   -Module list (to check)
   -*NOTE Does this module have to be loaded in each new session I log in to? Should it be written into the script available on GitHub?

3. I think that the following files are also not available to me. It tried to pull them from my directory and I obviously did not have them. I tried to find them from a higher directory, but failed:
   -TXM-wbions.prmtop (the topology file)
   -TXM-wbions-prod5-r1.rst (the restart/coordinates file)

4. I am not sure if these are the only reasons the script failed:
   Correct module not loaded?
   Topology and restart/coordinates files unavailable
   Did MPI cause a problem? Claude analysis says SLURM appears to have solved the problem itself. I’m not sure how to tell.