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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 |
Attachment:
cF_15.inp
Description: cF_15.inp