[Pw_forum] seeking help to resolve an error.

[Ari P Seitsonen]

Dear Dhavala Suri,

   It looks to me that your MPI is not working properly:

# A system-required executable either could not be found or was not executable

Also

> But I couldn't open the help file:
>     /usr/share/openmpi/help-orte-runtime: No such file or directory.  Sorry!

Are you sure that you have set the path to the MPI correctly?

   Is anything written into 'bands.out'?

   It is usually not recommended to have '.' in the path, rather running 
explicitly, such as './bands.x'.

     Greetings from Sunny Zurich,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Institut für Chemie der Universität Zürich, CH-8057 Zürich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Tue, 18 Mar 2014, dhavala suri wrote:

> Dear Sir/Madam,
> 
> I am trying to extract data from the output file si.bands.out to plot the
> band structure..
> i have pasted the the error that i am facing when i type the
> bands.x<bands.in>bands.out command.
> 
> kindly help me resolve this. 
> thanks a lot in advance..
> 
> 
> 
> dhavala at RSPatel:~/espresso/programs/si$ ls
> bands.in~  si.bands.in   si.nscf.in         si.save     si.wfc
> bands.inp  si.bands.in~  si.nscf.in~        si.scf.in   Untitled Document 1~
> bands.out  si.bands.out  si.nscf.out        si.scf.in~
> bands.x    sidata        Si.pbe-n-van.UPF~  si.scf.out
> pw.x       sidata~       Si.sample.in~      Si.vbc.UPF
> 
> dhavala at RSPatel:~/espresso/programs/si$ bands.x < bands.in > bands.out &
> [1] 25858
> dhavala at RSPatel:~/espresso/programs/si$ [RSPatel:25858] [[INVALID],INVALID]
> ORTE_ERROR_LOG: A system-required executable either could not be found or
> was not executable by this user in file
> ../../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line 357
> [RSPatel:25858] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required
> executable either could not be found or was not executable by this user in
> file ../../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line
> 230
> [RSPatel:25858] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required
> executable either could not be found or was not executable by this user in
> file ../../../orte/runtime/orte_init.c at line 132
> --------------------------------------------------------------------------
> Sorry!  You were supposed to get help about:
>     orte_init:startup:internal-failure
> But I couldn't open the help file:
>     /usr/share/openmpi/help-orte-runtime: No such file or directory.  Sorry!
> --------------------------------------------------------------------------
> --------------------------------------------------------------------------
> Sorry!  You were supposed to get help about:
>     mpi_init:startup:internal-failure
> But I couldn't open the help file:
>     /usr/share/openmpi/help-mpi-runtime: No such file or directory.  Sorry!
> --------------------------------------------------------------------------
> *** The MPI_Init() function was called before MPI_INIT was invoked.
> *** This is disallowed by the MPI standard.
> *** Your MPI job will now abort.
> [RSPatel:25858] Abort before MPI_INIT completed successfully; not able to
> guarantee that all other processes were killed![cleardot.gif]
> 
> --
> With kindest regardsSincerely,
> Dhavala Suri
> 
> 
>