<div dir="ltr"><div style="font-size:large" class="gmail_default">Dear Users and QE Developers,</div><div style="font-size:large" class="gmail_default">I am running relax/scf/vc-relax calculation  using  pw.x 6.4.1 on the cluster "<a href="https://www.nersc.gov/">NERSC</a>" with parallel_studio_xe_2018* with 68 cores on a single node. The QE_6.4.1 is installed by the technical staff of the cluster.</div><div style="font-size:large" class="gmail_default">The error what I am getting is already reported in the mailing list [1] but still I could not solve as I do not have any access of  Modules/qeh5_module.f90<tt>.<tt><br></tt></tt></div><div style="font-size:large" class="gmail_default">[1] <a href="https://www.mail-archive.com/users@lists.quantum-espresso.org/msg35505.html">https://www.mail-archive.com/users@lists.quantum-espresso.org/msg35505.html</a></div><div><br></div><div><div style="font-size:large" class="gmail_default">The input file information is</div><div style="font-size:large" class="gmail_default">&CONTROL<br>  calculation='relax',<br>  outdir='./',<br>  prefix='pwscf',<br>!restart_mode='from_scratch'<br>  pseudo_dir='../',<br>  verbosity='low',<br>!disk_io='none'<br>max_seconds=3500<br>etot_conv_thr=0.000001<br>forc_conv_thr=0.00001<br>nstep=400<br>tstress=.true.<br>tprnfor=.true.<br>/<br><br>&SYSTEM<br>  ibrav=6,<br>  celldm(1)=6.0361820843d0, celldm(3)=2.5214998388d0,<br>  nat=6,<br>  ntyp=3,<br>  ecutwfc=115,<br>!  ecutrho=120,<br>!  input_dft='lda',<br>  occupations='smearing',<br>  smearing='mv',<br>  degauss=0.005d0,<br><br>/<br><br>&ELECTRONS<br>  conv_thr=1d-010,<br>  mixing_beta=0.7d0,<br>mixing_mode='local-TF',<br><br>/<br>&IONS<br>/<br>&CELL<br>/<br></div><div style="font-size:large" class="gmail_default"><br></div><div style="font-size:large" class="gmail_default">## SYSTEM INFORMATION#######</div><div style="font-size:large" class="gmail_default"><br></div><div style="font-size:large" class="gmail_default">K_POINTS {automatic}<br>  7 7 3 0 0 0<br></div><div style="font-size:large" class="gmail_default">Could someone please suggest me how to solve this trouble?</div><div style="font-size:large" class="gmail_default"><br></div><div style="font-size:large" class="gmail_default">Regards</div><div style="font-size:large" class="gmail_default">Bhamu<br></div><br></div></div>