Possible bug in gsm with ORCA

[mverissi]

Dear developers,

I have been running a few growing string test calculations with gsm to determine a reaction energy barrier using QM cluster calculations with ORCA. When gsm added the eighth node, the job would die because, for whatever reason, the input would be duplicated. I managed a workaround by adding the line

awk -i inplace '!seen[$0]++' $ofile

to ograd before running ORCA.

I will gladly upload my files if you wish so that you can reproduce the error. I am using the cloned git repo - cloned today - compiled with gcc 12.3.0 and intel mkl.

Best regards,

Marcos