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Dear Kenneth <br>
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You are using a very old version of pw.x. For those versions wave functions were saved by default in the non-collected format, and it was possible to read them only by running the post-processing apps such as bands.x using exactly the same number of MPIs.
What the error message is suggesting you is to rerun pw.x with the option wf_collected=.true. that would make the program save the data in the collected format making them readable by the post-processing in any case.
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I suggest, if possible, using a more recent version of pw where this behavior has been corrected and binary data are always saved in collected formats.
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Thanks for postiong your question. For the future try to avoid too large attachments. By the rule messages should not exceed a size of 200Kb.
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Best regards and greetings <br>
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Pietro<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>Da:</b> users <users-bounces@lists.quantum-espresso.org> per conto di SK <ksandinah@st.ug.edu.gh><br>
<b>Inviato:</b> domenica 24 luglio 2022 15:00<br>
<b>A:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Oggetto:</b> [QE-users] [SPAM] bands.x output incomplete</font>
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<div>Hello,<br>
<p>Kindly help me clarify this.</p>
<p>I was running bands.x for Cs2AgBiBr6 and was getting an error that suggested: "wf_collect=.true." should be set. (i.e when I run without mpirun but same run incompletely when I use mpirun.):</p>
<p><i>bands.x < bandsOrig.in > bandsOrig.out</i> ----------- [wf_collect=.true. error]</p>
<p><i>mpirun -np 7 --oversubscribe bands.x </i><i>< bandsOrig.in > bandsOrig.out </i> -----------[runs but output indicated incomplete run]<br>
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<p>I re-run the pw.x for bands with wf_collect=.true. included in &CONTROL card.</p>
<p>Now whether with mpirun or not, bands.x gives no error but output file indicates it did not terminate properly. What I mean by incomplete is the output file did not have "JOB DONE." at the end, it stopped at the line: negative rho (up, down): 4.106E-02
0.000E+00</p>
<p>Attached are my input and output files for scf, nscf, bands and bands.x and info on CPU and RAM
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<p>I am running v.5.1 of QE.</p>
<p>Thank you and would very much appreciate some assistance.</p>
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<p>Regards</p>
<p>Kenneth Sandinah</p>
<p>Graduate student</p>
<p>University of Ghana<br>
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