Problems with running dntmc calculation


Just Got Here
Hello, everybody
I ran nwchem 6.8.1 with the follow input file:
start
   # start or restart directive if a restart run
   MEMORY 1000 mb
   
   PERMANENT_DIR ./perm
   # Globally accessible directory which the
   # rtdb (*.db) file will/does reside.
   
   basis "ao basis" spherical noprint
       * library 6-31++G**
   end
   # basis set directive for scf energies
   
   scf
       singlet
       rhf
       tol2e 1.0e-12
       vectors input atomic
       thresh 1.0e-06
       maxiter 200
       print none
   end
   # scf directive for scf energies
   
   geometry geom1 units angstroms noautosym nocenter noprint
   O  0.393676503613369      -1.743794626956820      -0.762291912129271
   H -0.427227157125777      -1.279138812526320      -0.924898279781319
   H  1.075463952717060      -1.095883929075060      -0.940073459864222
   symmetry c1
   end
   # geometry of a monomer with title "geom1"
   
   geometry geom2 units angstroms noautosym nocenter noprint
   N     6.36299e-08     0.00000     -0.670378
   H     0.916275     0.00000     -0.159874
   H     -0.458137     0.793517     -0.159874
   H     -0.458137     -0.793517     -0.159874
   symmetry c1
   end
   # geometry of another monomer with title "geom2"
   # other monomers may be included with different titles
   
   set subgroups_number 8
   # set directive which gives the number of subgroups
   # each group runs a separate MC simulation
   
   dntmc
   # DNTMC input block
       nspecies 2
       # The number of unique species (number of titled geometries
       # above)
       species geom1 geom2
       # An array of geometry titles (one for each
       # nspecies/geometry)
       nmol    5  5
       # An array stating the number of each
       # monomer/nspecies/geometry in simulation.
       temp  243.0
       mcsteps 1000000
       rmin 3.25
       rmax 12.25
       mprnt 10
       tdisp 0.04
       rdisp 0.06
       print none fdist mcdata
       # this print line first sets the print-level to none
       # then it states that the *.fdist and *.mcdata.(#num)
       # files are to be written
       rconfig
       dntmc_dir ./largefile
       # An accessible directory which to place the *.fdist,
       # *.mcdata.(#num), and *.restart.(#num) files.
       convergence 1.0D+00
   end
   
   task scf dntmc
   # task directive stating that energies are to be done at the scf
   #level of theory.



End received the follow output:


nohup: ignoring input
 argument  1 = h2onh4.nw
                                         
                                         


              Northwest Computational Chemistry Package (NWChem) 6.8
              ------------------------------------------------------


                    Environmental Molecular Sciences Laboratory
                       Pacific Northwest National Laboratory
                                Richland, WA 99352

                              Copyright (c) 1994-2017
                       Pacific Northwest National Laboratory
                            Battelle Memorial Institute

             NWChem is an open-source computational chemistry package
                        distributed under the terms of the
                      Educational Community License (ECL) 2.0
             A copy of the license is included with this distribution
                              in the LICENSE.TXT file

                                  ACKNOWLEDGMENT
                                  --------------

            This software and its documentation were developed at the
            EMSL at Pacific Northwest National Laboratory, a multiprogram
            national laboratory, operated for the U.S. Department of Energy
            by Battelle under Contract Number DE-AC05-76RL01830. Support
            for this work was provided by the Department of Energy Office
            of Biological and Environmental Research, Office of Basic
            Energy Sciences, and the Office of Advanced Scientific Computing.


           Job information
           ---------------

    hostname        = kirill-W54-W94-W955TU-T-C
    program         = nwchem
    date            = Wed Feb 27 06:30:54 2019

    compiled        = Wed_Aug_15_19:14:19_2018
    source          = /home/edo/debichem-team/nwchem/nwchem-6.8.1
    nwchem branch   = 6.8.1
    nwchem revision = v6.8-133-ge032219
    ga revision     = 5.6.5
    use scalapack   = T
    input           = h2onh4.nw
    prefix          = h2onh4.
    data base       = ./perm/h2onh4.db
    status          = startup
    nproc           =        1
    time left       =     -1s



           Memory information
           ------------------

    heap     =   32767998 doubles =    250.0 Mbytes
    stack    =   32767995 doubles =    250.0 Mbytes
    global   =   65536000 doubles =    500.0 Mbytes (distinct from heap & stack)
    total    =  131071993 doubles =   1000.0 Mbytes
    verify   = yes
    hardfail = no 


           Directory information
           ---------------------

  0 permanent = ./perm
  0 scratch   = .




                                NWChem Input Module
                                -------------------


  library name resolved from: .nwchemrc
  library file name is: </usr/share/nwchem/libraries/>
  
 ------------------------------------------------------------------------
 dntmc_allocate_arrays: failed to get nob from rtdb                   0
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line : 
    76:    task scf dntmc
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 An error occured in the Runtime Database
 ------------------------------------------------------------------------
 For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation


 For further details see manual section:                                                                                                                                                                                                                                                                
0:dntmc_allocate_arrays: failed to get nob from rtdb:Received an Error in Communication
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 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.
--------------------------------------------------------------------------




Please, help me handle this error.

Just Got Here
Hello, everybody
I ran nwchem 6.8.1 with the follow input file:
start
   # start or restart directive if a restart run
   MEMORY 1000 mb
   
   PERMANENT_DIR ./perm
   # Globally accessible directory which the
   # rtdb (*.db) file will/does reside.
   
   basis "ao basis" spherical noprint
       * library 6-31++G**
   end
   # basis set directive for scf energies
   
   scf
       singlet
       rhf
       tol2e 1.0e-12
       vectors input atomic
       thresh 1.0e-06
       maxiter 200
       print none
   end
   # scf directive for scf energies
   
   geometry geom1 units angstroms noautosym nocenter noprint
   O  0.393676503613369      -1.743794626956820      -0.762291912129271
   H -0.427227157125777      -1.279138812526320      -0.924898279781319
   H  1.075463952717060      -1.095883929075060      -0.940073459864222
   symmetry c1
   end
   # geometry of a monomer with title "geom1"
   
   geometry geom2 units angstroms noautosym nocenter noprint
   N     6.36299e-08     0.00000     -0.670378
   H     0.916275     0.00000     -0.159874
   H     -0.458137     0.793517     -0.159874
   H     -0.458137     -0.793517     -0.159874
   symmetry c1
   end
   # geometry of another monomer with title "geom2"
   # other monomers may be included with different titles
   
   set subgroups_number 8
   # set directive which gives the number of subgroups
   # each group runs a separate MC simulation
   
   dntmc
   # DNTMC input block
       nspecies 2
       # The number of unique species (number of titled geometries
       # above)
       species geom1 geom2
       # An array of geometry titles (one for each
       # nspecies/geometry)
       nmol    5  5
       # An array stating the number of each
       # monomer/nspecies/geometry in simulation.
       temp  243.0
       mcsteps 1000000
       rmin 3.25
       rmax 12.25
       mprnt 10
       tdisp 0.04
       rdisp 0.06
       print none fdist mcdata
       # this print line first sets the print-level to none
       # then it states that the *.fdist and *.mcdata.(#num)
       # files are to be written
       rconfig
       dntmc_dir ./largefile
       # An accessible directory which to place the *.fdist,
       # *.mcdata.(#num), and *.restart.(#num) files.
       convergence 1.0D+00
   end
   
   task scf dntmc
   # task directive stating that energies are to be done at the scf
   #level of theory.



End received the follow output:


nohup: ignoring input
 argument  1 = h2onh4.nw
                                         
                                         


              Northwest Computational Chemistry Package (NWChem) 6.8
              ------------------------------------------------------


                    Environmental Molecular Sciences Laboratory
                       Pacific Northwest National Laboratory
                                Richland, WA 99352

                              Copyright (c) 1994-2017
                       Pacific Northwest National Laboratory
                            Battelle Memorial Institute

             NWChem is an open-source computational chemistry package
                        distributed under the terms of the
                      Educational Community License (ECL) 2.0
             A copy of the license is included with this distribution
                              in the LICENSE.TXT file

                                  ACKNOWLEDGMENT
                                  --------------

            This software and its documentation were developed at the
            EMSL at Pacific Northwest National Laboratory, a multiprogram
            national laboratory, operated for the U.S. Department of Energy
            by Battelle under Contract Number DE-AC05-76RL01830. Support
            for this work was provided by the Department of Energy Office
            of Biological and Environmental Research, Office of Basic
            Energy Sciences, and the Office of Advanced Scientific Computing.


           Job information
           ---------------

    hostname        = kirill-W54-W94-W955TU-T-C
    program         = nwchem
    date            = Wed Feb 27 06:30:54 2019

    compiled        = Wed_Aug_15_19:14:19_2018
    source          = /home/edo/debichem-team/nwchem/nwchem-6.8.1
    nwchem branch   = 6.8.1
    nwchem revision = v6.8-133-ge032219
    ga revision     = 5.6.5
    use scalapack   = T
    input           = h2onh4.nw
    prefix          = h2onh4.
    data base       = ./perm/h2onh4.db
    status          = startup
    nproc           =        1
    time left       =     -1s



           Memory information
           ------------------

    heap     =   32767998 doubles =    250.0 Mbytes
    stack    =   32767995 doubles =    250.0 Mbytes
    global   =   65536000 doubles =    500.0 Mbytes (distinct from heap & stack)
    total    =  131071993 doubles =   1000.0 Mbytes
    verify   = yes
    hardfail = no 


           Directory information
           ---------------------

  0 permanent = ./perm
  0 scratch   = .




                                NWChem Input Module
                                -------------------


  library name resolved from: .nwchemrc
  library file name is: </usr/share/nwchem/libraries/>
  
 ------------------------------------------------------------------------
 dntmc_allocate_arrays: failed to get nob from rtdb                   0
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line : 
    76:    task scf dntmc
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 An error occured in the Runtime Database
 ------------------------------------------------------------------------
 For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation


 For further details see manual section:                                                                                                                                                                                                                                                                
0:dntmc_allocate_arrays: failed to get nob from rtdb:Received an Error in Communication
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 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.
--------------------------------------------------------------------------




Please, help me handle this error.


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