<div dir="ltr"><div style="font-family:arial,sans-serif;font-size:13px"><div><div>Dear Sir/Madam,<br><br></div>I am trying to extract data from the output file si.bands.out to plot the band structure..<br></div>i have pasted the the error that i am facing when i type the bands.x<<a href="http://bands.in/" target="_blank">bands.in</a>>bands.out command.<br>

<br></div><span style="font-family:arial,sans-serif;font-size:13px">kindly help me resolve this. </span><br style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:arial,sans-serif;font-size:13px">thanks a lot in advance..</span><br style="font-family:arial,sans-serif;font-size:13px">

<div style="font-family:arial,sans-serif;font-size:13px"><br><br><br>dhavala@RSPatel:~/espresso/programs/si$ ls<br><a href="http://bands.in/" target="_blank">bands.in</a>~  <a href="http://si.bands.in/" target="_blank">si.bands.in</a>   <a href="http://si.nscf.in/" target="_blank">si.nscf.in</a>         si.save     si.wfc<br>

bands.inp  <a href="http://si.bands.in/" target="_blank">si.bands.in</a>~  <a href="http://si.nscf.in/" target="_blank">si.nscf.in</a>~        <a href="http://si.scf.in/" target="_blank">si.scf.in</a>   Untitled Document 1~<br>

bands.out  si.bands.out  si.nscf.out        <a href="http://si.scf.in/" target="_blank">si.scf.in</a>~<br>bands.x    sidata        Si.pbe-n-van.UPF~  si.scf.out<br>pw.x       sidata~       <a href="http://si.sample.in/" target="_blank">Si.sample.in</a>~      Si.vbc.UPF<br>

<br>dhavala@RSPatel:~/espresso/programs/si$ bands.x < <a href="http://bands.in/" target="_blank">bands.in</a> > bands.out &<br>[1] 25858<br>dhavala@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<br>

[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<br>

[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<br>--------------------------------------------------------------------------<br>

Sorry!  You were supposed to get help about:<br>    orte_init:startup:internal-failure<br>But I couldn't open the help file:<br>    /usr/share/openmpi/help-orte-runtime: No such file or directory.  Sorry!<br>--------------------------------------------------------------------------<br>

--------------------------------------------------------------------------<br>Sorry!  You were supposed to get help about:<br>    mpi_init:startup:internal-failure<br>But I couldn't open the help file:<br>    /usr/share/openmpi/help-mpi-runtime: No such file or directory.  Sorry!<br>

--------------------------------------------------------------------------<br>*** The MPI_Init() function was called before MPI_INIT was invoked.<br>*** This is disallowed by the MPI standard.<br>*** Your MPI job will now abort.<br>

[RSPatel:25858] Abort before MPI_INIT completed successfully; not able to guarantee that all other processes were killed!<div class=""><div id=":xq" class="" tabindex="0"><img class="" src="https://mail.google.com/mail/u/1/images/cleardot.gif"></div>

</div></div><div><br></div>-- <br><div dir="ltr"><font face="arial, helvetica, sans-serif" color="#351c75"><b>With kindest regards</b></font><div><font face="arial, helvetica, sans-serif" color="#351c75"><b>Sincerely,</b></font></div>

<div><font face="arial, helvetica, sans-serif" color="#351c75"><b>Dhavala Suri</b></font></div><div><br></div></div>
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