<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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