<div dir="ltr"><div class="gmail_default" style="font-size:small">Dear all, </div><div class="gmail_default" style="font-size:small">             I am trying to calculate <b>electron-phonon coupling strangth, anisotropic Elishberg spectral function , anisotrotic superconducting gap</b> using EPW as instructed from the site given below</div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default"><a href="http://epw.org.uk/Main/About">http://epw.org.uk/Main/About</a><br></div><div class="gmail_default"><br></div><div class="gmail_default"><a href="http://epw.org.uk/Documentation/Tutorial">http://epw.org.uk/Documentation/Tutorial</a><br></div><div class="gmail_default"><br></div><div class="gmail_default">I am trying to run EPW on bulk FCC Lead. I shall be highly obliged if anyone help me to find my error. I have calculated using the following steps: </div><div class="gmail_default"><br></div><div class="gmail_default"><div class="gmail_default">mpirun -np 4 ../../../../bin/pw.x < <a href="http://scf.in">scf.in</a> > scf.out</div><div class="gmail_default">mpirun -np 4 ../../../../bin/ph.x < <a href="http://ph.in">ph.in</a> > ph.out</div><div class="gmail_default">python pp.py < <a href="http://pp.in">pp.in</a></div><div class="gmail_default">mpirun -np 4 ../../../../bin/pw.x < <a href="http://scf_epw.in">scf_epw.in</a> > scf_epw.out</div><div class="gmail_default">mpirun -np 4 ../../../../bin/pw.x -npool 4 < <a href="http://nscf_epw.in">nscf_epw.in</a> > nscf_epw.out</div><div class="gmail_default">mpirun -np 4 ../../../src/epw.x -npool 4 < <a href="http://epw.in">epw.in</a> > epw.out</div></div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default" style="font-size:small">all the calculation were completed successfully except the last epw calculation </div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default"><b><font size="4">mpirun -np 4 ../../../src/epw.x -npool 4 < <a href="http://epw.in">epw.in</a> > epw.out</font></b><br></div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default" style="font-size:small">It is showing error :</div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default"><div class="gmail_default">Program EPW v.4.0.0 starts on 28Jul2016 at 10:27:15</div><div class="gmail_default"><br></div><div class="gmail_default">     This program is part of the open-source Quantum ESPRESSO suite</div><div class="gmail_default">     for quantum simulation of materials; please cite</div><div class="gmail_default">         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div><div class="gmail_default">          URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>",</div><div class="gmail_default">     in publications or presentations arising from this work. More details at</div><div class="gmail_default">     <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a></div><div class="gmail_default"><br></div><div class="gmail_default">     Parallel version (MPI), running on     4 processors</div><div class="gmail_default">     R & G space division:  proc/nbgrp/npool/nimage =       4</div><div class="gmail_default"><br></div><div class="gmail_default"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div class="gmail_default">     <b><font size="4">Error in routine epw_readin (1):</font></b></div><div class="gmail_default"><b><font size="4">     reading input_epw namelist</font></b></div><div class="gmail_default"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div class="gmail_default"><br></div><div class="gmail_default">     stopping ...</div><div class="gmail_default">--------------------------------------------------------------------------</div><div class="gmail_default">MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD</div><div class="gmail_default">with errorcode 1.</div><div class="gmail_default"><br></div><div class="gmail_default">NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.</div><div class="gmail_default">You may or may not see output from other processes, depending on</div><div class="gmail_default">exactly when Open MPI kills them.</div><div style="font-size:small"><br></div></div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default"><b><font size="4">My input file is :</font></b></div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default"><div class="gmail_default">&inputepw</div><div class="gmail_default">  prefix      = 'pb'</div><div class="gmail_default">  amass(1)    = 207.2</div><div class="gmail_default">  outdir      = './'</div><div class="gmail_default"><br></div><div class="gmail_default">  elph        = .true.</div><div class="gmail_default">  kmaps       = .false.</div><div class="gmail_default">  epbwrite    = .true.</div><div class="gmail_default">  epbread     = .false.</div><div class="gmail_default"><br></div><div class="gmail_default">  epf_mem     = .true.</div><div class="gmail_default">  etf_mem     = .true.</div><div class="gmail_default"><br></div><div class="gmail_default">  epwwrite    = .true.</div><div class="gmail_default">  epwread     = .false.</div><div class="gmail_default"><br></div><div class="gmail_default">  nbndsub     =  4</div><div class="gmail_default">  nbndskip    =  0</div><div class="gmail_default"><br></div><div class="gmail_default">  wannierize  = .true.</div><div class="gmail_default">  num_iter    = 300</div><div class="gmail_default">  dis_win_max = 18</div><div class="gmail_default">  dis_froz_max= 8</div><div class="gmail_default">  proj(1)     = 'Pb:sp3'</div><div class="gmail_default"><br></div><div class="gmail_default">  iverbosity  = 0</div><div class="gmail_default"><br></div><div class="gmail_default">  elinterp    = .true.</div><div class="gmail_default">  phinterp    = .true.</div><div class="gmail_default"><br></div><div class="gmail_default">  tshuffle2   = .true.</div><div class="gmail_default">  tphases     = .false.</div><div class="gmail_default"><br></div><div class="gmail_default">  elecselfen  = .true.</div><div class="gmail_default">  phonselfen  = .true.</div><div class="gmail_default">  a2f         = .true.</div><div class="gmail_default"><br></div><div class="gmail_default">  parallel_k  = .true.</div><div class="gmail_default">  parallel_q  = .false.</div><div class="gmail_default"><br></div><div class="gmail_default">  fsthick     = 0.5</div><div class="gmail_default">  eptemp      = 0.045</div><div class="gmail_default">  degaussw    = 0.045</div><div class="gmail_default">  degaussq    = 0.05 </div><div class="gmail_default"><br></div><div class="gmail_default">  dvscf_dir   = './save'</div><div class="gmail_default">  filukk      = './pb.ukk'</div><div class="gmail_default">  </div><div class="gmail_default">  nk1         = 6</div><div class="gmail_default">  nk2         = 6</div><div class="gmail_default">  nk3         = 6</div><div class="gmail_default"><br></div><div class="gmail_default">  nq1         = 6</div><div class="gmail_default">  nq2         = 6</div><div class="gmail_default">  nq3         = 6</div><div class="gmail_default"><br></div><div class="gmail_default">  nqf1         = 4</div><div class="gmail_default">  nqf2         = 4</div><div class="gmail_default">  nqf3         = 4</div><div class="gmail_default">  nkf1         = 30</div><div class="gmail_default">  nkf2         = 30</div><div class="gmail_default">  nkf3         = 30</div><div class="gmail_default"> /</div><div class="gmail_default">      16 cartesian</div><div class="gmail_default">    0.0000000   0.0000000   0.0000000   0.0909090</div><div class="gmail_default">   -0.1666667   0.1666667  -0.1666667   0.0909090</div><div class="gmail_default">   -0.3333333   0.3333333  -0.3333333   0.0909090</div><div class="gmail_default">    0.5000000  -0.5000000   0.5000000   0.0909090</div><div class="gmail_default">    0.0000000   0.3333333   0.0000000   0.0909090</div><div class="gmail_default">   -0.1666667   0.5000000  -0.1666667   0.0909090</div><div class="gmail_default">    0.6666667  -0.3333333   0.6666667   0.0909090</div><div class="gmail_default">    0.5000000  -0.1666667   0.5000000   0.0909090</div><div class="gmail_default">    0.3333333   0.0000000   0.3333333   0.0909090</div><div class="gmail_default">    0.0000000   0.6666667   0.0000000   0.0909090</div><div class="gmail_default">    0.8333333  -0.1666667   0.8333333   0.0909090</div><div class="gmail_default">    0.6666667   0.0000000   0.6666667   0.0909090</div><div class="gmail_default">    0.0000000  -1.0000000   0.0000000   0.0909090</div><div class="gmail_default">    0.6666667  -0.3333333   1.0000000   0.0909090</div><div class="gmail_default">    0.5000000  -0.1666667   0.8333333   0.0909090</div><div class="gmail_default">   -0.3333333  -1.0000000   0.0000000   0.0909090</div><div style="font-size:small"><br></div></div><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div><div>Yours sincerely </div><div><br>Gargee Bhattacharyya<br></div><div><div class="gmail_default" style="font-size:small">​PhD Pursuing</div><div class="gmail_default" style="font-size:small">Metallurgy Engineering & Materials Science</div><div class="gmail_default" style="font-size:small">IIT Indore ​</div><br></div>M.Tech (VLSI Design & Microelectronics Technology)<br></div>Department of ETCE<br></div>Jadavpur University <br></div></div>
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