---------- Forwarded message ---------- From: dhavala suri <[email protected]> Date: Tue, Mar 18, 2014 at 2:00 PM Subject: seeking help to resolve an error. To: pw_forum at pwscf.org
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 <http://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! -- *With kindest regards* *Sincerely,* *Dhavala Suri* -- *With kindest regards* *Sincerely,* *Dhavala Suri* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140318/aedaf4fd/attachment.html
