I'm attempting a Nudged Elastic Band (NEB) method job and I'm running into some issues. Sometimes my jobs will fail and the log will only show this at the point of failure.
Caching 1-el integrals
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util_jacobi: ierr 1
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current input line :
73: task dft neb ignore
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This error has not yet been assigned to a category
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For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
0:0:util_jacobi: ierr:: 1
(rank:0 hostname:r1984 pid:31525):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
Followed by a lot more of the same error messages as the job fails on the multiple processors and nodes.
Is this a memory error or a disk error?
Thanks,
Sam
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