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<p style="margin-top:0; margin-bottom:0">Hello,</p>
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<p style="margin-top:0; margin-bottom:0">I just want to report a problem I am dealing with in <font color="#bd1398">quantum-espresso/6.2.1.
</font>I used the following commands to run a parallel phonon calculation:</p>
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<p style="margin-top:0; margin-bottom:0"><span>1-mpirun -np 40 pw.x -nk 2 < scf.in > scf.out</span><br>
</p>
<p style="margin-top:0; margin-bottom:0"><span><span>2-mpirun -np 320 ph.x -ni 8 -nk 2 < ph.in > ph.out</span><br>
</span></p>
<p style="margin-top:0; margin-bottom:0"><span><span><span>3-mpirun -np 40 ph.x -nk 2 < ph.in > ph.out</span><br>
</span></span></p>
<p style="margin-top:0; margin-bottom:0"><span style="color:rgb(189,19,152)"><br>
</span></p>
<p style="margin-top:0; margin-bottom:0"><font color="#bd1398"><span style="color:rgb(0,0,0)">I used </span></font><span style="color:rgb(0,0,0); font-size:12pt">recover=.true. command for the last simulation. However, I am getting the following error in the
ph.out output:</span></p>
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<div> <span style="color:rgb(114,50,173)"> Program PHONON v.6.2 (svn rev. 14038) starts on 4May2018 at 12:40:33</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> This program is part of the open-source Quantum ESPRESSO suite</span></div>
<div><span style="color:rgb(114,50,173)"> for quantum simulation of materials; please cite</span></div>
<div><span style="color:rgb(114,50,173)"> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</span></div>
<div><span style="color:rgb(114,50,173)"> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);</span></div>
<div><span style="color:rgb(114,50,173)"> URL http://www.quantum-espresso.org",</span></div>
<div><span style="color:rgb(114,50,173)"> in publications or presentations arising from this work. More details at</span></div>
<div><span style="color:rgb(114,50,173)"> http://www.quantum-espresso.org/quote</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> <span style="background-color: rgb(0, 255, 0);">Parallel version (MPI & OpenMP), running on 80 processor cores</span></span></div>
<span style="background-color: rgb(0, 255, 0);"></span>
<div><span style="color: rgb(114, 50, 173); background-color: rgb(0, 255, 0);"> Number of MPI processes: 40</span></div>
<span style="background-color: rgb(0, 255, 0);"></span>
<div><span style="color: rgb(114, 50, 173); background-color: rgb(0, 255, 0);"> Threads/MPI process: 2</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> MPI processes distributed on 1 nodes</span></div>
<div><span style="color:rgb(114,50,173)"> K-points division: npool = 2</span></div>
<div><span style="color:rgb(114,50,173)"> R & G space division: proc/nbgrp/npool/nimage = 20</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> Reading data from directory:</span></div>
<div><span style="color:rgb(114,50,173)"> ./_ph0/beta-arsenene.save/</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> IMPORTANT: XC functional enforced from input :</span></div>
<div><span style="color:rgb(114,50,173)"> Exchange-correlation = PBE ( 1 4 3 4 0 0)</span></div>
<div><span style="color:rgb(114,50,173)"> Any further DFT definition will be discarded</span></div>
<div><span style="color:rgb(114,50,173)"> Please, verify this is what you really want</span></div>
<div><br>
</div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> Parallelization info</span></div>
<div><span style="color:rgb(114,50,173)"> --------------------</span></div>
<div><span style="color:rgb(114,50,173)"> sticks: dense smooth PW G-vecs: dense smooth PW</span></div>
<div><span style="color:rgb(114,50,173)"> Min 56 45 14 8416 6017 1088</span></div>
<div><span style="color:rgb(114,50,173)"> Max 57 47 15 8431 6025 1109</span></div>
<div><span style="color:rgb(114,50,173)"> Sum 1135 913 295 168399 120441 21889</span></div>
<div><br>
</div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> negative rho (up, down): 2.474E-05 0.000E+00</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><span style="color:rgb(114,50,173)"> Error in routine phq_readin (1):</span></div>
<div><span style="color:rgb(114,50,173)"> pw.x run with a different number of processors. Use wf_collect=.true.</span></div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> stopping ...</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><span style="color:rgb(114,50,173)"> Error in routine phq_readin (1):</span></div>
<div><span style="color:rgb(114,50,173)"> pw.x run with a different number of processors. Use wf_collect=.true.</span></div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> stopping ...</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><span style="color:rgb(114,50,173)"> Error in routine phq_readin (1):</span></div>
<div><span style="color:rgb(114,50,173)"> pw.x run with a different number of processors. Use wf_collect=.true.</span></div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> stopping ...</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><span style="color:rgb(114,50,173)"> Error in routine phq_readin (1):</span></div>
<div><span style="color:rgb(114,50,173)"> pw.x run with a different number of processors. Use wf_collect=.true.</span></div>
<div><span style="color:rgb(114,50,173)"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></div>
<div><br>
</div>
<div><span style="color:rgb(114,50,173)"> stopping ...</span></div>
<div><br>
</div>
<div>I do not know why I am getting this error as the number of processors for pw.x and ph.x are the same (command 1 & 3). I will really appreciate if you let me know if this is a bug or i am doing something wrong. Below is also first lines of the pw.x output.
I highlighted the number of processors:</div>
<div><br>
</div>
<div>
<div> <span style="color: rgb(114, 50, 173);">Program PWSCF v.6.2 (svn rev. 14038) starts on 3May2018 at 15:31:57</span></div>
<div><br>
</div>
<div><span style="color: rgb(114, 50, 173);"> This program is part of the open-source Quantum ESPRESSO suite</span></div>
<div><span style="color: rgb(114, 50, 173);"> for quantum simulation of materials; please cite</span></div>
<div><span style="color: rgb(114, 50, 173);"> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</span></div>
<div><span style="color: rgb(114, 50, 173);"> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);</span></div>
<div><span style="color: rgb(114, 50, 173);"> URL http://www.quantum-espresso.org",</span></div>
<div><span style="color: rgb(114, 50, 173);"> in publications or presentations arising from this work. More details at</span></div>
<div><span style="color: rgb(114, 50, 173);"> http://www.quantum-espresso.org/quote</span></div>
<div><br>
</div>
<div><span style="color: rgb(189, 19, 152);"><span style="color: rgb(114, 50, 173);"> </span><span style="background-color: rgb(0, 255, 0); color: rgb(114, 50, 173);">Parallel version (MPI & OpenMP), running on 80 processor cores</span></span></div>
<div><span style="color: rgb(114, 50, 173); background-color: rgb(0, 255, 0);"> Number of MPI processes: 40</span></div>
<div><span style="color: rgb(114, 50, 173); background-color: rgb(0, 255, 0);"> Threads/MPI process: 2</span></div>
<div><br>
</div>
<div><span style="color: rgb(114, 50, 173);"> MPI processes distributed on 1 nodes</span></div>
<div><span style="color: rgb(114, 50, 173);"> K-points division: npool = 2</span></div>
<div><span style="color: rgb(114, 50, 173);"> R & G space division: proc/nbgrp/npool/nimage = 20</span></div>
<div><span style="color: rgb(114, 50, 173);"> Waiting for input...</span></div>
<div><span style="color: rgb(114, 50, 173);"> Reading input from standard input</span></div>
<div><br>
</div>
<div><span style="color: rgb(114, 50, 173);"> Current dimensions of program PWSCF are:</span></div>
<div><span style="color: rgb(114, 50, 173);"> Max number of different atomic species (ntypx) = 10</span></div>
<div><span style="color: rgb(114, 50, 173);"> Max number of k-points (npk) = 40000</span></div>
<div><span style="color: rgb(114, 50, 173);"> Max angular momentum in pseudopotentials (lmaxx) = 3</span></div>
<div><br>
</div>
<br>
</div>
<div>Best regards,</div>
<div><br>
</div>
<div>- Armin</div>
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</div>
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