CCSDT level calculation of this failed
...
CCSDT Linear Response polarizability / au
Frequency = 0.0656000 / au
Frequency = 0.0000000 / au
CCSDT-YR (Static) iterations
---------------------------------------------
Iter Residuum Cpu Wall
---------------------------------------------
key = 90
1 0
2 10
3 19
tce_hash: key not found 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at https://github.com/nwchemgit/nwchem/wiki
For further details see manual section: No section for this category
MPI_ABORT was invoked on rank 2 in communicator MPI COMMUNICATOR 3 DUP FROM 0
with errorcode -1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
The ccsd(t) level calculation only gives ccsd hyperpolarizability and ccsd(t) energy, etc.
I have put the log files on Github.
|