<div dir="ltr"><div class="gmail_default" style="font-family:simsun,serif"><div class="gmail_default">Hi Elio, </div><div class="gmail_default"><br></div><div class="gmail_default">I can answer your first question. This is because your Linux environment variable is incorrect. You must source the intel mkl by something like</div><div class="gmail_default">``source PATH/mklvars.sh intel64'' (PATH is your mkl install path). You can add this in your ~/.bashrc file. Or you can compile your wannier90.x by static:</div><div class="gmail_default"><br></div><div class="gmail_default">LIBS = ${MKLROOT}/libem64t/libmkl_solver_lp64_sequential.a -Wl,--start-group ${MKLROOT}/libem64t/libmkl_intel_lp64.a ${MKLROOT}/libem64t/libmkl_core.a ${MKLROOT}/libem64t/libmkl_sequential.a -Wl,--end-group -lpthread -lm</div><div class="gmail_default"><br></div><div class="gmail_default">This website will be helpful:</div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif"><a href="https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/">https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/</a></font><br></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif"><br></font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif">Wish my answer is helpful.</font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif"><br></font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif">Regards, </font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif">Wu-Jun Shi</font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif">Department of Physics </font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif">Tsinghua University</font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif">Beijing, P.R. China</font></div><div class="gmail_default" style="font-family:arial,sans-serif"><font face="simsun, serif"><br></font></div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-04-02 13:59 GMT+08:00 Elio Physics <span dir="ltr"><<a href="mailto:elio-physics@live.com" target="_blank">elio-physics@live.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><div dir="ltr">Dear all,<div><br></div><div>I have compiled the WANNIER package and obtained the executables (wannier90.x and postw90.x). However when I try to run the example, I face two problems:</div><div><br></div><div>(1) If I try to run the executable from the home directory of the form:</div><div><br></div><div>/home_cluster/fis718/........./wannier90.x silicon</div><div><br></div><div>i get the following error:</div><div><br></div><div><div> error while loading shared libraries: libmkl_core.so: cannot open shared object file: No such file or directory. I tried to correct this error but in vain. My make.sys file is the following:</div></div><div><br></div><div><div>=====================================================</div><div># For Linux with intel version 11/12 on 64bit machines</div><div>#=====================================================</div><div>F90 = ifort</div><div>COMMS=mpi</div><div>MPIF90=mpiifort</div><div>FCOPTS=-O2</div><div>LDOPTS=-O2</div><div><br></div><div>#========================================================</div><div># Intel mkl libraries. Set LIBPATH if not in default path</div><div>#========================================================</div><div><br></div><div>LIBDIR = /opt/intel/Compiler/11.1/069/mkl/lib/em64t</div><div>LIBS = -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread -lmkl_intel_thread -lguide -lmkl_blas95_lp64 -lmkl_lapack95_lp64</div><div><br></div><div>#=======================</div><div># ATLAS Blas and LAPACK</div><div>#=======================</div><div>#LIBDIR = /usr/local/lib</div><div>#LIBS = -L$(LIBDIR) -llapack -lf77blas -lcblas -latlas</div></div><div><br></div><div><br></div><div>(2) Trying to run it in erial but using mpiexec (with one processor) as in mpirun -np 1....., i get a different error:</div><div><br></div><div>" Error: Problem opening input file wannier.win</div><div>Error: examine the output/error file for details"</div><div><br></div><div>Although I feel the errors are related. I am trying to produce the example fileds so I have not changed anything in the files. Please can anyone help me solve this problem.</div><div><br></div><div>Regards</div><div><br></div><div>Elio</div><div>Univers of rond</div><div>Brazil</div><div><br></div> </div></div>
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