I am trying to run some energy calculations on VASP/6.2.3 for organic small molecules and I get the following bug when running array jobs. This is the slurm.out file:
Code: Select all
cp: -r not specified; omitting directory 'VASP_AC-2990894-11'
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| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| internal error in: vhdf5_base.F at line: 2270 |
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| HDF5 call in vhdf5_base.F:2270 produced error: 1 |
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| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |
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MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
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.
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Best,
Amrita