Re: [orca-list] ORCA finished by error termination in EPR/NMR

[Joanmarie Diggs <jdiggs igalia com>]

Wrong mailing list. This mailing list is for the Orca screen reader
which presents applilcations to users who are blind or visually
impaired. Sorry!
--joanie

On 3/6/19 3:28 PM, Stamatia Zavitsanou wrote:
> Hello, 
>
>
> I am running an ORCA calculation and I am getting this error, which I
> don't know what it means.
>
>
> Error reading UBName in ORCA_EPRNMR
>
> -------------------------------------------------------
>
> Primary job  terminated normally, but 1 process returned
>
> a non-zero exit code. Per user-direction, the job has been aborted.
>
> -------------------------------------------------------
>
>
> ORCA finished by error termination in EPR/NMR
>
> Calling Command: mpirun -np 4
>  /usr/local/orca_4_1_0_linux_x86-64/orca_eprnmr_mpi
> solventcF15_1.eprnmr.inp solventcF15_1 
>
> [file orca_tools/qcmsg.cpp, line 453]: 
>
>   .... aborting the run
>
>
> I have attached my input file.
>
> This input file has worked in the past for different xyz files.
>
> Any suggestions?
>
>
> Thanks a lot,
>
> Stamatia Zavitsanou
>
>
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