<p dir="ltr">Static (not status) -- Android autocorrect error.</p>
<p dir="ltr">---<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">http://www.numis.northwestern.edu</a><br>
Corrosion in 4D <a href="http://MURI4D.numis.northwestern.edu">http://MURI4D.numis.northwestern.edu</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</p>
<div class="gmail_quote">On Aug 24, 2015 06:19, "Laurence Marks" <<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">As the error states, on one or more of the computers the path to the fftw3 library is not known. This is a standard problem in openmpi. It does not fully export your environment for you, so just because the path and shared libraries are found when you source the compiler scripts does not mean they are when the program executes.</p>
<p dir="ltr">Check your LD_LIBRARY_PATH & edit parallel_options such that WIEN_MPIRUN exports it for you, looking at the MPIRUN man page (e.g. <a href="https://www.open-mpi.org/doc/v1.8/man1/mpirun.1.php" target="_blank">https://www.open-mpi.org/doc/v1.8/man1/mpirun.1.php</a>).</p>
<p dir="ltr">Alternatively use status linking for the fftw3 libraries.</p>
<p dir="ltr">---<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">http://www.numis.northwestern.edu</a><br>
Corrosion in 4D <a href="http://MURI4D.numis.northwestern.edu" target="_blank">http://MURI4D.numis.northwestern.edu</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</p>
<div class="gmail_quote">On Aug 24, 2015 00:48, "venkatesh chandragiri" <<a href="mailto:venkyphysicsiitm@gmail.com" target="_blank">venkyphysicsiitm@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div dir="ltr">
<div>
<div>Dear Wien2k users,<br>
<br>
</div>
Recently, I have installed Wien2K_13.1 program in my SMP, having 12 threads. I have run serial calculations without giving an error with this PC. Now, I want to implement parallel calculations and installed 'fftw-3.3.4', 'l_mpi_p_5.1.0.038' and 'openmpi-1.8.8'.
Although, the re-installation of Wien2k with parallel option does not give any errors, I am getting error while running "lapw0_mpi" (in volume optimization process). These errors are
<br>
<br>
===============================<br>
<pre>clmextrapol_lapw has generated a new
Gd3Mn2vol.clmdn</pre>
<pre>/opt/intel/composerxe-2011.3.174/mkl/bin/<a href="http://mklvars.sh/hup" target="_blank">mklvars.sh/hup</a>:
Not a directory.</pre>
<pre>/home/shuvra/wien2k/lapw0_mpi: error while
loading shared libraries: libfftw3_mpi.so.3: cannot open shared
object file: No such file or directory</pre>
<pre>/home/shuvra/wien2k/lapw0_mpi: error while
loading shared libraries: libfftw3_mpi.so.3: cannot open shared
object file: No such file or directory</pre>
<pre>/home/shuvra/wien2k/lapw0_mpi: error while
loading shared libraries: libfftw3_mpi.so.3: cannot open shared
object file: No such file or directory</pre>
<pre>/home/shuvra/wien2k/lapw0_mpi: error while
loading shared libraries: libfftw3_mpi.so.3: cannot open shared
object file: No such file or directory</pre>
<pre>/home/shuvra/wien2k/lapw0_mpi: error while
loading shared libraries: libfftw3_mpi.so.3: cannot open shared
object file: No such file or directory</pre>
<pre><br>
</pre>
<pre>> stop error</pre>
<pre style="margin-bottom:0.5cm">ERROR status in
Gd3Mn2vol_vol__-8.0</pre>
=============================================<br>
<br>
</div>
However, <br>
<pre>libfftw3_mpi.so.3 file is present the in the respective path and <br></pre>
<pre>wien2k unable to locate it..?<br><br></pre>
<pre>these are the setting of the parallelization<br><br>=========================
Current settings:
</pre>
<p style="margin-bottom:0cm;line-height:100%"></p>
<p style="margin-bottom:0cm;line-height:100%">FFTW_LIB + FFTW_OPT : -lfftw3_mpi -lfftw3 -L/home/shuvra/fftw334/lib + -DFFTW3 -I/home/shuvra/fftw334/include (already set)
</p>
<p style="margin-bottom:0cm;line-height:100%">RP RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 $(R_LIBS)
</p>
<p style="margin-bottom:0cm;line-height:100%">FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
</p>
<p style="margin-bottom:0cm;line-height:100%">MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
<br>
</p>
<p style="margin-bottom:0cm;line-height:100%"><br>
</p>
<p style="margin-bottom:0cm;line-height:100%">=========================================================<br>
</p>
<p style="margin-bottom:0cm;line-height:100%"></p>
<pre>Kindly, help me<br><br></pre>
<pre>thanking you<br><br></pre>
<pre>Best regards,<br></pre>
<pre>venkatesh<br></pre>
</div>
</div>
</blockquote></div>
</blockquote></div>