[Pw_forum] seeking help to resolve an error.

[dhavala suri]

attached is my input file...

the program now runs and stops saying the following error:

/bin$ ./bands.x<bands.in

     Program POST-PROC v.4.1.3  starts ...
     Today is 19Mar2014 at  8: 2: 8

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from do_bands : error #         1
     reading inputpp namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
STOP 2



On Tue, Mar 18, 2014 at 6:54 PM, Ari P Seitsonen <Ari.P.Seitsonen at iki.fi>wrote:

>
> 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
>>
>>
>>
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-- 
*With kindest regards*
*Sincerely,*
*Dhavala Suri*
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