|===============================================================================
|
|  DFTB+ release 18.2
|
|  Copyright (C) 2018  DFTB+ developers group
|
|===============================================================================
|
|  When publishing results obtained with DFTB+, please cite the following
|  reference:
|
|  * B. Aradi, B. Hourahine and T. Frauenheim,
|    DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method,
|    J. Phys. Chem. A, 111 5678 (2007).  [doi: 10.1021/jp070186p]
|
|  You should also cite additional publications crediting the parametrization
|  data you use. Please consult the documentation of the SK-files for the
|  references.
|
|===============================================================================


***  Parsing and initializing

Parser version: 6

Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------
Reading SK-files:
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/O-O.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/O-C.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/O-Zn.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/O-H.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/C-C.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/C-Zn.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/C-H.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/Zn-Zn.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/Zn-H.skf
  /home/mtolladay/pkgs/slako/3ob/3ob-3-1/H-H.skf
Done.


Processed input in HSD format written to 'dftb_pin.hsd'

Starting initialization...
--------------------------------------------------------------------------------
MPI processes:               1
OpenMP threads:              4

ERROR!
-> You must explicitely enable OpenMP threads (UseOmpThreads = Yes) if you wish to run an MPI-parallelised binary with OpenMP threads. If not, make sure that the environment variable OMP_NUM_THREADS is set to 1.
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
