Hi, there. I've searched the forums, documentation, and Google to try and find an answer to this, but nothing seems to quite match my problem; I apologise in advance if the answer to this has already been posted.
I ran an optimisation, hit the walltime (I'm using Grex on Westgrid), so I followed the instructions on changing the beginning of the input file from "start" to "restart". I resubmitted my PBS script, and I end up getting the same errors every time (linked below). I was wondering if anyone knew what steps to take. I'm extremely new at NWChem.
Errors observed:
geom_cart_set: too few centers 0 geometry
qmmm: Failed to initialize geometry 0
There is an error related to the specified geometry
Last System Error Message from Task 0:: No such file or directory
(rank:2 hostname:n218 pid:29628):ARMCI DASSERT fail. ../../ga-5-2/armci/src/common/armci.c:ARMCI_Error():208 cond:0
2:2:qmmm: Failed to initialize geometry:: -1
Something about my output won't let me post it here, so I've uploaded it externally here.
Thanks!
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