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<p>are you sure that you are using qe-6.3. <br>
</p>
<p>The wavefunction_module has been renamed just after the release
so its current name is wavefunctions. <br>
</p>
<p>If you are actually using the development branch of the
repository you should indeed meet this issue. <br>
</p>
<p> If this is the case before merging thermo_pw you should revert
to qe-6.3. <br>
</p>
<p>If you are using a git repository it is quite simple to do it
just do <br>
</p>
<p><tt>git checkout qe-6.3</tt></p>
<p>and <tt>git checkout -b <branch-name></tt> <br>
</p>
<p>to save the current status in a local branch <br>
</p>
<p>otherwise just download the tarball of the qe-6.3 release. <br>
</p>
<br>
<div class="moz-cite-prefix">On 31/07/2018 07:28, Christoph Wolf
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAMC_G_61c3DbSGQm2eEPpB1ns0QYZHVL8TcgHr8KR3fntSvt4Q@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=utf-8">
<div dir="ltr">Dear all,
<div><br>
</div>
<div>after reading up on the possibility to calculate "bulk
projected bands" I found that thermo_pw should be able to do
this. However I am unable to compile the latest version with
qe 6.3.</div>
<div><br>
</div>
<div>My ./configure log is attached. I can build the entire QE
package (except yambo - that one never works out of the box)
using intel MKL and compilers by issuing</div>
<div><br>
</div>
<div>
<div><i>./configure --enable-shared --enable-parallel
--with-scalapack=intel CC=mpicc F77=mpif90 FC=mpif90</i></div>
</div>
<div><i><br>
</i></div>
<div>(alternative mpifort seems to be working as well)</div>
<div><i><br>
</i></div>
<div>
<div><i>The following libraries have been found:</i></div>
<div><i> BLAS_LIBS= -lmkl_intel_lp64 -lmkl_intel_thread
-lmkl_core</i></div>
<div><i> LAPACK_LIBS=</i></div>
<div><i> SCALAPACK_LIBS=-lmkl_scalapack_lp64
-lmkl_blacs_intelmpi_lp64</i></div>
<div><i>
FFT_LIBS=-L/opt/intel/compilers_and_libraries_2018.0.128/linux/mkl/intel64</i></div>
<div><i> </i></div>
<div><i>Please check if this is what you expect.</i></div>
</div>
<div><br>
</div>
<div>after patching thermo_pw into QE (make join_qe) make
thermo_pw fails initially with a truncation error </div>
<div><i><br>
</i></div>
<div>
<div><i>phdos_module.f90:392:132: Error: Line truncated at (1)
[-Werror=line-truncation]</i></div>
<div><i>f951: some warnings being treated as errors</i></div>
</div>
<div><br>
</div>
<div>which can be overcome by using <span
style="font-size:small;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline">-ffree-line-length-none</span> but
then make fails again whilst looking for a module called
wavefunctions_module.mod which, apparently does not exist in
QE/Modules</div>
<div><br clear="all">
<div>
<div><i>add_zstar_ue.f90:20:6:</i></div>
<div><i><br>
</i></div>
<div><i> USE wavefunctions_module, ONLY: evc</i></div>
<div><i> 1</i></div>
<div><i>Fatal Error: Can't open module file
‘wavefunctions_module.mod’ for reading at (1): No such
file or directory</i></div>
<div><i>compilation terminated.</i></div>
<div><i>make[2]: *** [add_zstar_ue.o] Error 1</i></div>
<div><i>make[1]: *** [thermo_qe] Error 1</i></div>
<div><i>make: *** [thermo_pw] Error 1</i></div>
</div>
<div><br>
</div>
<div><br>
</div>
<div>Has anyone encountered (and overcome..) this problem? Any
hint is greatly appreciated!</div>
<div><br>
</div>
<div>Best,</div>
<div>Chris </div>
<div><br>
</div>
-- <br>
<div class="gmail_signature">
<div dir="ltr">Postdoctoral Researcher<br>
Center for Quantum Nanoscience, Institute for Basic
Science<br>
Ewha Womans University, Seoul, South Korea</div>
</div>
</div>
</div>
<br>
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