<meta http-equiv="Content-Type" content="text/html; charset=GB18030"><div><font face="Arial" size="2">Dear All,</font></div><div><font face="Arial" size="2"><br></font></div><div><font face="Arial" size="2">I try to perform phonon calculations using the command: nohup mpirun -np 48 ph.x <bulk.ph.inp> bulk.ph.out 2>&1&, but got the error below</font></div><div><font face="Arial" size="2"><br></font></div><div><font face="Arial" size="2"><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div>     Error in routine  fft_type_set (6):</div><div>  there are processes with no planes. Use pencil decomposition (-pd .true.)</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>So I tried to using the command: nohup mpirun -np 48 ph.x -pd .true. <bulk.ph.inp> bulk.ph.out 2>&1&, but found that the calculations become extremely slugish, much much slower than fewer cores (24) without -pd .true. Any idea to run ph calculations more efficient?</div><div><br></div><div>Sincerely</div><div><br></div><div>Jibiao Li</div><div>Sichuan University of Arts and Science</div></font></div><div><font face="Arial" size="2"><br></font></div><div><font face="Arial" size="2"><div>&inputph</div><div>search_sym = .false.,</div><div>tr2_ph = 1.0d-14,</div><div>prefix = 'bulk',</div><div>fildvscf = 'aldv',</div><div>alpha_mix(1) = 0.15,</div><div>amass(1) = 1.00794,</div><div>amass(2) = 24.30500,</div><div>outdir = './',</div><div>fildyn = 'bulk.dyn',</div><div>ldisp = .true.,</div><div>nq1 = 6, nq2 = 6, nq3 = 6,</div><div>/</div><div><br></div><div><div> &CONTROL</div><div>   calculation     = 'scf' </div><div>   restart_mode    = 'from_scratch' </div><div>   outdir          = './' </div><div>   pseudo_dir      = '/home/jibiaoli/pseudo/PAW' </div><div>   prefix          = 'bulk' </div><div> /</div><div> &SYSTEM</div><div>   ibrav           = 1</div><div>   celldm(1)       = 6.398928</div><div>   nat             = 25</div><div>   ntyp            = 2</div><div>   ecutwfc         = 49 </div><div>   ecutrho         = 411 </div><div>   occupations     = 'tetrahedra_opt'  </div><div> /</div><div> &ELECTRONS</div><div>   electron_maxstep = 299</div><div>   mixing_beta     = 0.2D0 </div><div>   diagonalization = 'david' </div><div> /</div><div>ATOMIC_SPECIES</div><div>    H    1.00790  H.pbe-kjpaw_psl.1.0.0.UPF </div><div>   Mg   24.30500  Mg.pbe-spnl-kjpaw_psl.1.0.0.UPF </div><div>ATOMIC_POSITIONS angstrom</div><div>H             2.9334371019        1.6945880639        2.4064504157</div><div>H             2.9361097364        1.6946193258        0.9764573199</div><div>H             2.9341317887        2.4103259252        1.6928022975</div><div>H             2.9356664900        0.9765087562        1.6928258572</div><div>H             0.4563748303        1.6945449253        2.4048843040</div><div>H             0.4536753902        1.6945754540        0.9780384352</div><div>H             0.4556732876        2.4087508950        1.6927430710</div><div>H             0.4541167746        0.9780891614        1.6927663575</div><div>H             1.6942074227        2.9338747269        2.4094173440</div><div>H             1.6942253553        2.9365230609        0.9734873573</div><div>H             2.4084148469        2.9326051884        1.6928151644</div><div>H             0.9788601287        2.9338768014        1.6928324483</div><div>H             1.6941642845        0.4564001751        2.4044853312</div><div>H             1.6941821077        0.4536980304        0.9784450092</div><div>H             2.4086627503        0.4549656694        1.6927305862</div><div>H             0.9786090540        0.4536705754        1.6927471350</div><div>H             1.6942228241        2.4075198302        2.9323288632</div><div>H             1.6942361110        0.9758523967        2.9347177575</div><div>H             2.4113785197        1.6924498474        2.9330218283</div><div>H             0.9759023776        1.6924603570        2.9342779497</div><div>H             1.6941592473        2.4044103869        0.4556913284</div><div>H             1.6941721664        0.9789728802        0.4532408142</div><div>H             2.4082581865        1.6923579184        0.4549779034</div><div>H             0.9790135072        1.6923675439        0.4536758309</div><div>Mg            0.0000000000        0.0000000000        0.0000000000    0   0   0</div><div>K_POINTS automatic </div><div>  10 10 10   0 0 0 </div></div><div><br></div><div><br></div></font></div><div><hr align="left" style="margin: 0 0 10px 0;border: 0;border-bottom:1px solid #E4E5E6;height:0;line-height:0;font-size:0;padding: 20px 0 0 0;width: 50px;"><div style="font-size:14px;font-family:Verdana;color:#000;"><a class="xm_write_card" id="in_alias" style="white-space: normal; display: inline-block; text-decoration: none !important;font-family: -apple-system,BlinkMacSystemFont,PingFang SC,Microsoft YaHei;" href="https://wx.mail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