I'm trying to restart frequency calculations on our university cluster (slurm type scheduler) using Gaussian16/A.03 and having no luck understanding why my inputs are not working.
The directory I run the restart from contains the .skr, .d2e, .int, .rwf, .chk, and .inp files from the previous run, which terminated normally due to a walltime limit on my cluster.
I use the following input file
$RunGauss
%Rwf=FreqReactMed.rwf,-1
%Chk=FreqReactMed.chk
%NProcShared=16
%Mem=50GB
# Restart
Restart Frequency run
-2 1
N 0 -5.76774700 -0.88060400 2.21283300
coords continue (then blank line terminated)
Weirdly if I run the restart using Gaussian09/A.02 it works fine, but if I then restart again with 09 or 16 it errors out.
I've attached the log files for all of these.
Is this perhaps something to do with the PID number? Is gaussian expecting this to be one greater than my restart as I have no control over this?
Thank you for you help, and any advice on how to deal with this would be appreciated.
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