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Topic: Gaussian Optimization Restart  (Read 4487 times)

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Offline Nanoclusmate

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Gaussian Optimization Restart
« on: March 05, 2014, 09:33:38 AM »
Hi all,

I'm trying to restart a job (optimization) from a previous checkpoint file. I keep getting 'segmentation violation' error. What does that mean?

Our input, slurm, output and error files (/home_palamut2/...) and .chk & .rwf files (/truba_scratch/...) are located in different directories.

I created a sample input file with the coordinates of a random molecule and cancelled the job to see if it restarts with this input file below, but it didn't work:

%RWF=restartsample.rwf
%NoSave
%chk=restartsample.chk
%mem=400mW
#p opt=restart

We are using Gaussian 09.
I would appreciate if someone can help me find a solution :)

Thanks a lot.


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