<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">cd /PATH-TO-FFTW3/lib/<br>
grep -e fftw_alloc_complex *<br>
Binary file libfftw3.a matches<br>
<br>
This indicates that 'fftw_alloc_complex'' is part of the
libfftw3.a library (i.e., -lfftw3).<br>
<br>
I think two possible causes might be that the wrong fftw3 library
is referenced or fftw3 library was not compiled in a compatible
way.<br>
<br>
Regarding wrong fftw3 library, you could try replacing<br>
<br>
-lfftw3<br>
<br>
with<br>
<br>
/opt/apps/fftw3/lib/libfftw3.a<br>
<br>
This would tell the linker to use this libfftw3.a instead of
another libfftw3.a, should more than one exist on your system.<br>
<br>
Regarding incompatible fftw3 library, you could try to recompile
fftw3 with the same compilers used for Wien2k.<br>
<br>
What fftw3 version are you using? It might also be that the
include file has changed if you are using the latest fftw3 version
(3.3.4) instead of 3.3.3, which results in a problem similar to
that observed in Wien2k 12.1
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06147.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06147.html</a>].<br>
<br>
Hope that helps and good luck.<br>
<br>
On 7/13/2014 11:00 PM, vijaykumar gudelli wrote:<br>
</div>
<blockquote
cite="mid:CALFUnyY=uxf4F6MiM+k90+OuHtN5gLeau6ACfJztRS3iu6D3WA@mail.gmail.com"
type="cite">
<div dir="ltr">
<div>Dear Wien2k users,</div>
<div><br>
</div>
<div>We are trying to install wien2k 13.1 in a CENTOS6 machine.
We could able to install all the parameters without any error
except lapw0_mpi. It was showing the following error.</div>
<div><br>
</div>
<div>fft_modules.o: In function
`fftw_parallel_mp_prepare_parallel_ffts_':<br>
</div>
<div>fft_modules.F:(.text+0x43): undefined reference to
`fftw_mpi_init'</div>
<div>fft_modules.F:(.text+0xbf): undefined reference to
`fftw_mpi_local_size_3d_f03'</div>
<div>fft_modules.F:(.text+0xd0): undefined reference to
`fftw_alloc_complex'</div>
<div>fft_modules.o: In function `fftw_parallel_mp_c3fft_':</div>
<div>fft_modules.F:(.text+0xc90): undefined reference to
`fftw_mpi_execute_dft'</div>
<div>fft_modules.F:(.text+0x1647): undefined reference to
`fftw_mpi_execute_dft'</div>
<div>fft_modules.F:(.text+0x3578): undefined reference to
`fftw_mpi_plan_dft_3d_f03'</div>
<div>fft_modules.F:(.text+0x3f8e): undefined reference to
`fftw_mpi_plan_dft_3d_f03'</div>
<div>make[1]: *** [lapw0_mpi] Error 1</div>
<div>make[1]: Leaving directory `/home/kull/wien2k/SRC_lapw0'</div>
<div>make: *** [para] Error 2</div>
<div><br>
</div>
<div><br>
</div>
<div>Here is my OPTIONS file:<br>
</div>
<div>
<br>
</div>
<div>
<div>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -xAVX -O3</div>
<div>current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -xAVX -O3</div>
<div>current:FFTW_OPT:-DFFTW3 -I/opt/apps/fftw3/include</div>
<div>current:FFTW_LIBS:-I/opt/apps/fftw3/include
-L/opt/apps/fftw3/lib -lfftw3_mpi -lfftw3 </div>
<div>current:LDFLAGS:$(FOPT)
-L/opt/intel/Compiler/11.1/046/mkl/lib/em64t -pthread</div>
<div>current:DPARALLEL:'-DParallel'</div>
<div>current:R_LIBS:-lmkl_lapack -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide</div>
<div>current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64
-lmkl_blacs_lp64 -lmpi $(FFTW_LIBS) $(R_LIBS)</div>
<div>current:MPIRUN:/opt/apps/openmpi/intel/bin/mpirun -np
_NP_ _EXEC_</div>
<div>current:MKL_TARGET_ARCH:intel64</div>
</div>
<div><br>
</div>
<div><span style="font-family:arial,sans-serif;font-size:13px">Thanks
in advance</span><br>
</div>
-- <br>
-- <u>Regards</u><br>
<br>
<br>
V. K. GUDELLI<br>
<a moz-do-not-send="true" href="mailto:vkgudelli@gmail.com"
target="_blank">vkgudelli@gmail.com</a><br>
INDIA<br>
</div>
</blockquote>
</body>
</html>