[ADF-LIST] amsprep -j tag failing

Brandi Ransom bransom at stanford.edu
Mon Jun 7 07:03:31 CEST 2021

Hello,

I am trying to produce many small jobs which only differ in the structure they are running on.
I've been able to use amsprep in terminal to create the .ams files, however the [-j jobname] tag doesn't seem to work.
Has anyone else encountered this problem or successfully tried to do something similar?

Ideally I could run the following line: (the new structure does load properly in the new_file.ams)
amsprep -t template.ams -a new_file.ams -xyz new_structure.xyz -j new_job

It currently produces the following output in terminal (after the successful .ams build):
EORTHEJOB

chmod u+x job
./job >>"$SCM_RESULTDIR/$JOBNAME.out" 2>> "$SCM_RESULTDIR/$JOBNAME.err"
rm job

# <<EPILOG>>

ready


Brandi Ransom
PhD Candidate | Reed Computation and Theory Group
Materials Engineering | Stanford University
https://reedgroup.stanford.edu/staff/bransom.html

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