<div dir="ltr"><br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">dhavala suri</b> <span dir="ltr"><<a href="mailto:dhavala.suri@gmail.com">dhavala.suri@gmail.com</a>></span><br>
Date: Tue, Mar 18, 2014 at 2:00 PM<br>Subject: seeking help to resolve an error.<br>To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br><br><br><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><div><img src="https://mail.google.com/mail/u/1/images/cleardot.gif"></div><span class="HOEnZb"><font color="#888888">
</font></span></div></div><span class="HOEnZb"><font color="#888888"><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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</div><br><br clear="all"><br>-- <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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