<div dir="ltr"><div><div class="gmail_default" style="font-family:georgia,serif">Dear <span style="font-family:Arial,Helvetica,sans-serif;background-color:transparent">Smarak Rath</span></div><div class="gmail_default" style="font-family:georgia,serif"><span style="font-family:Arial,Helvetica,sans-serif;background-color:transparent">Reduce the number of mpi processes say if you were using mpirun -np 48 dos.x -i <a href="http://dos.in">dos.in</a> -o dos.out then use fewer mpi processes example </span><span style="font-family:Arial,Helvetica,sans-serif;background-color:transparent">mpirun -np 12 dos.x -i <a href="http://dos.in">dos.in</a> -o dos.out; or use the pencil decomposition as advised </span><span style="font-family:Arial,Helvetica,sans-serif;background-color:transparent">mpirun -np 48 dos.x -pd .true. -i <a href="http://dos.in">dos.in</a> -o dos.out</span></div><br clear="all"></div><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:12.8px"><div style="font-size:small"><b>Prof. Robinson J. Musembi</b><br></div><div style="font-size:small"><div><div style="color:rgb(136,136,136)"><div><div>Group PI | Computational Materials Physics <br></div>University Of Nairobi | P.O. Box 30197, Nairobi 00100, Kenya<br></div></div><div><font color="#888888">Home | </font><span style="font-size:12.8px"><font color="#666666">P.O. Box 24026 GPO Nairobi 00100</font></span></div><span style="color:rgb(136,136,136)">Mobile: +254 725220788 | Email: </span><font color="#0000ff">musembirrj</font><a href="mailto:E.Cheruiyot@elar.co.ke" target="_blank"><font color="#0000ff">@uonbi.ac.ke</font></a><br></div><span style="color:rgb(136,136,136)">Website:<a href="http://www.elar.co.ke/" style="color:rgb(17,85,204)" target="_blank"></a> |</span><span style="color:rgb(136,136,136)"> X: @rjmsensei </span><span style="font-size:12.8px"><font color="#888888">|</font><u><font color="#0000ff"> </font></u></span><font color="#0000ff"><span style="font-size:12.8px"><u>www.</u></span><span style="font-size:12.8px"><a href="http://linkedin.com/in/prof-r-musembi-b366a516/" target="_blank">linkedin.com/in/prof-r-musembi-b366a516/</a></span></font></div></div><div style="font-size:12.8px"><img src="https://ci3.googleusercontent.com/mail-sig/AIorK4x4pUB-w8xupTpk6BCGSktaN0W2NH6UhSg-I-9Z7EH8dYbuVZiXqjtm1befpwj7R5XFSUa9AcPL-DAQ" style="font-size:small"></div></div></div></div></div></div></div></div></div></div><br></div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Tue, Sep 8, 2026 at 1:00 PM <<a href="mailto:users-request@lists.quantum-espresso.org">users-request@lists.quantum-espresso.org</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Send users mailing list submissions to<br>
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Today's Topics:<br>
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1. Error in DOS calculation (Smarak Rath mm18d201)<br>
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Message: 1<br>
Date: Mon, 7 Sep 2026 17:33:39 +0200<br>
From: Smarak Rath mm18d201 <<a href="mailto:mm18d201@smail.iitm.ac.in" target="_blank">mm18d201@smail.iitm.ac.in</a>><br>
To: <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
Subject: [QE-users] Error in DOS calculation<br>
Message-ID:<br>
<CA+4SUFF0uHV10Y1FvoZQgpfSMHDP8mOuHST2XxJUULZ=<a href="mailto:xri2Tw@mail.gmail.com" target="_blank">xri2Tw@mail.gmail.com</a>><br>
Content-Type: text/plain; charset="utf-8"<br>
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Dear Friends<br>
I successfully completed scf and nscf calculations for my system. But when<br>
I do the DOS calculation using dos.x, I get the following error:<br>
<br>
Error in routine fft_type_set (6):<br>
there are processes with no planes. Use pencil decomposition (-pd .true.)<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine fft_type_set (6):<br>
there are processes with no planes. Use pencil decomposition (-pd .true.)<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine fft_type_set (6):<br>
there are processes with no planes. Use pencil decomposition (-pd .true.)<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
This is my nscf file:<br>
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*&CONTROL calculation = 'nscf' restart_mode = 'from_scratch' outdir =<br>
'./out/' prefix = 'het2' pseudo_dir = './pseudo/' tprnfor = .false.<br>
tstress = .false. wf_collect = .true. max_seconds = 86400 verbosity =<br>
'high'/&SYSTEM ibrav = 0 ntyp = 3 nat = 6 ecutwfc = 100 ecutrho = 800<br>
ecutfock = 150 nbnd = 120 occupations = 'tetrahedra' input_dft =<br>
'gaupbe' nqx1 = 4 nqx2 = 4 nqx3 = 4<br>
x_gamma_extrapolation = .false. force_symmorphic = .true./&ELECTRONS<br>
conv_thr = 1e-8 mixing_beta = 0.4/ATOMIC_SPECIESMo 95.95<br>
Mo.pbe-spn-rrkjus_psl.1.0.0.UPFS 32.065<br>
S.pbe-n-rrkjus_psl.1.0.0.UPFSn 118.71 Sn.pbe-dn-rrkjus_psl.1.0.0.UPF*<br>
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This is my <a href="http://dos.in" rel="noreferrer" target="_blank">dos.in</a> file:<br>
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&DOS<br>
prefix = 'het2'<br>
outdir = './out/'<br>
Emin = -70.0<br>
Emax = 30.0<br>
DeltaE = 0.01<br>
fildos = 'het2.dos'<br>
/<br>
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Can anyone tell me what might have gone wrong?<br>
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Regards<br>
Smarak Rath<br>
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