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<div class="moz-cite-prefix">The "ld: cannot find -lfftw3_mpi" means
that the linker cannot find the mpi fftw3 library file
(libfftw3_mpi.a). It looks like your settings in
"SRC_hf/compile.msg" do not match the shown settings in
siteconfig. Try adjusting your settings in siteconfig so that
"-L/opt/local/fftw3/lib/" appears in front of "-lfftw3_mpi" in
your "SRC_hf/compile.msg" when you compile.<br>
<br>
Also, change your settings so that you are using the lp64
libraries instead of the ilp64 ones as shown in your
"SRC_hf/compile.msg" (like -lmkl_blacs_ilp64). As far as I know,
Wien2k does not currently support ilp64, such that you would run
into errors like others have experienced
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08707.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08707.html</a>].<br>
<br>
On 6/9/2014 9:37 AM, Nathalie Soto Yamile wrote:<br>
</div>
<blockquote
cite="mid:CABF4r38Nvcy8t07S-WLsBpEunM-H6wLNR459=_+6U_C52Nw66g@mail.gmail.com"
type="cite">
<div dir="ltr">
<div>
<div>Dear Prof Gavin <span style="background:none repeat
scroll 0% 0% yellow" class="">Abo</span><br>
<br>
I have <span style="background:none repeat scroll 0% 0%
yellow" class="">tried</span> to do what you <span
style="background:none repeat scroll 0% 0% yellow"
class="">suggested</span> ; my options now are :<br>
<br>
Finding the required fftw2/3 <span style="background:none
repeat scroll 0% 0% yellow" class="">mpi</span>-files in /<span
style="background:none repeat scroll 0% 0% yellow"
class="">usr</span> and /opt ....<br>
/opt/local/fftw3/lib/libfftw3_<span style="background:none
repeat scroll 0% 0% yellow" class="">mpi</span>.a<br>
</div>
<div>
could not find <span style="background:none repeat scroll
0% 0% yellow" class="">fftw</span> ....<br>
Your present <span style="background:none repeat scroll 0%
0% yellow" class="">FFTW</span> choice is: FFTW3<br>
Please specify whether you want to use FFTW3 (default) or
FFTW2 (FFTW3 / FFTW2): FFTW3<br>
Present <span style="background:none repeat scroll 0% 0%
yellow" class="">FFTWpath</span> is: /opt/local/fftw3 <br>
Please specify the ROOT-path of your <span
style="background:none repeat scroll 0% 0% yellow"
class="">FFTW</span> installation (like /opt/fftw3):
/opt/local/fftw3<br>
<br>
Your <span style="background:none repeat scroll 0% 0%
yellow" class="">FFTW</span>_LIBS are: -lfftw3_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span> -lfftw3 -L/opt/local/fftw3/lib <br>
Your <span style="background:none repeat scroll 0% 0%
yellow" class="">FFTW</span>_OPT are : -DFFTW3
-I/opt/local/fftw3/include <br>
<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">FFTW</span>_LIB + <span style="background:none
repeat scroll 0% 0% yellow" class="">FFTW</span>_OPT :
-lfftw3_<span style="background:none repeat scroll 0% 0%
yellow" class="">mpi</span> -lfftw3
-L/opt/local/fftw3/lib + -DFFTW3
-I/opt/local/fftw3/include (already set)<br>
RP RP_LIB(<span style="background:none repeat scroll
0% 0% yellow" class="">SCALAPACK</span>+<span
style="background:none repeat scroll 0% 0% yellow"
class="">PBLAS</span>): -<span style="background:none
repeat scroll 0% 0% yellow" class="">lmkl</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">scalapack</span>_lp64 -<span
style="background:none repeat scroll 0% 0% yellow"
class="">lmkl</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">blacs</span>_lp64 $(R_LIBS)
<br>
<span style="background:none repeat scroll 0% 0%
yellow" class="">FP</span> <span style="background:none
repeat scroll 0% 0% yellow" class="">FPOPT</span>(par.comp.options):
$(<span style="background:none repeat scroll 0% 0% yellow"
class="">FOPT</span>)<br>
MP <span style="background:none repeat scroll 0% 0%
yellow" class="">MPIRUN</span> commando : <span
style="background:none repeat scroll 0% 0% yellow"
class="">mpirun</span> -<span style="background:none
repeat scroll 0% 0% yellow" class="">np</span> _NP_ -<span
style="background:none repeat scroll 0% 0% yellow"
class="">machinefile</span> _HOSTS_ _EXEC_<br>
<br>
after compilation i get: <br>
<br>
Compile time errors (if any) were:<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">dstart</span>/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">dstart</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">dstart</span>/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [para] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_hf/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [hf_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_hf/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">rp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_hf/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">hfc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_hf/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">cp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw0/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [lapw0_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw0/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [para] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw1/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [lapw1_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw1/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">rp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw1/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [lapw1c_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw1/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">cp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw2/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [lapw2_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw2/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">rp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw2/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make[1]: *** [lapw2c_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_lapw2/compile.<span
style="background:none repeat scroll 0% 0% yellow"
class="">msg</span>:make: *** [<span
style="background:none repeat scroll 0% 0% yellow"
class="">cp</span>] Error 2<br>
<br>
</div>
<div>and when i look at the <span style="background:none
repeat scroll 0% 0% yellow" class="">filles</span> ( hf
for example ) :<br>
..........<br>
...............<span style="background:none repeat scroll 0%
0% yellow" class="">mpiifort</span> -o ./<span
style="background:none repeat scroll 0% 0% yellow"
class="">hfc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">mpi</span> <span
style="background:none repeat scroll 0% 0% yellow"
class="">abc</span>.o add_<span style="background:none
repeat scroll 0% 0% yellow" class="">hvxhfvc</span>.o add_<span
style="background:none repeat scroll 0% 0% yellow"
class="">hvxsl</span>_int.o add_<span
style="background:none repeat scroll 0% 0% yellow"
class="">hvxsl</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">sph</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">atpar</span>.o c3fft.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">abc</span>_hf.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">abc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">sl</span>.o <span style="background:none repeat
scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">cnk</span>.o <span style="background:none repeat
scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">exhf</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">exhfcc</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">exhfvc</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">exhfvv</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_gaunt.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_gaunt_<span style="background:none
repeat scroll 0% 0% yellow" class="">vxsl</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_h.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">ifflim</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_indices.o
<span style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_overlap_<span style="background:none
repeat scroll 0% 0% yellow" class="">sph</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">rhovalvxsl</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">tdde</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">tddh</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">calc</span>_theta.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">ucuchucuc</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uu</span>.o <span style="background:none repeat
scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uuchucu</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uuchucuh</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uuguu</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uuguuh</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uui</span>.o <span style="background:none repeat
scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uuih</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">uvxslug</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">calc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">vxsltheta</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">cbcomb</span>.o
charg2.o charg3.o charge.o <span style="background:none
repeat scroll 0% 0% yellow" class="">cputim</span>.o
create_stars.o <span style="background:none repeat scroll
0% 0% yellow" class="">dergl</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">diracout</span>.o dvbes1.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">errclr</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">errflg</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">fftw</span>_seq.o gaunt.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">getfft</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">gtfnam</span>.o hf.o
<span style="background:none repeat scroll 0% 0% yellow"
class="">ifflim</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">inouh</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">inth</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">latgen</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">lomain</span>.o make_alms.o modules.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">msbi</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">msbj</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">msbk</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">notri</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">opnfs</span>.o order_<span style="background:none
repeat scroll 0% 0% yellow" class="">cnk</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">outerr</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">outwin</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">ph</span>.o read_<span style="background:none
repeat scroll 0% 0% yellow" class="">cnk</span>.o
read_input.o read_<span style="background:none repeat scroll
0% 0% yellow" class="">rhoval</span>.o read_<span
style="background:none repeat scroll 0% 0% yellow"
class="">struct</span>.o read_<span style="background:none
repeat scroll 0% 0% yellow" class="">uc</span>.o read_<span
style="background:none repeat scroll 0% 0% yellow"
class="">vxsl</span>.o read_weight.o rint13.o rotate.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">rotdef</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">setfft</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">sphbes</span>.o <span style="background:none
repeat scroll 0% 0% yellow" class="">sphi</span>.o <span
style="background:none repeat scroll 0% 0% yellow"
class="">sphk</span>.o stern.o t3j.o t3j0.o W2kinit.o
W2kutils.o <span style="background:none repeat scroll 0% 0%
yellow" class="">ylm</span>.o -w90 -FR -O3 -mp1 -w -<span
style="background:none repeat scroll 0% 0% yellow"
class="">prec</span>_div -pad -align -<span
style="background:none repeat scroll 0% 0% yellow"
class="">DINTEL</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">VML</span> -<span
style="background:none repeat scroll 0% 0% yellow"
class="">traceback</span> -I/opt/<span
style="background:none repeat scroll 0% 0% yellow"
class="">intel</span>/<span style="background:none repeat
scroll 0% 0% yellow" class="">mkl</span>/lib/intel64
-I/opt/<span style="background:none repeat scroll 0% 0%
yellow" class="">intel</span>/<span style="background:none
repeat scroll 0% 0% yellow" class="">mkl</span>/include
-I/<span style="background:none repeat scroll 0% 0% yellow"
class="">usr</span>/local/include -I/opt/<span
style="background:none repeat scroll 0% 0% yellow"
class="">intel</span>/<span style="background:none repeat
scroll 0% 0% yellow" class="">mkl</span>/include/<span
style="background:none repeat scroll 0% 0% yellow"
class="">fftw</span> -DFFTW3 -I/opt/local/fftw3/include
-L/opt/<span style="background:none repeat scroll 0% 0%
yellow" class="">intel</span>/composer_<span
style="background:none repeat scroll 0% 0% yellow"
class="">xe</span>_2013.5.192/<span style="background:none
repeat scroll 0% 0% yellow" class="">mkl</span>/lib/ -<span
style="background:none repeat scroll 0% 0% yellow"
class="">pthread</span> -lfftw3_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span> -<span style="background:none repeat
scroll 0% 0% yellow" class="">lmkl</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">scalapack</span>_ilp64 -<span
style="background:none repeat scroll 0% 0% yellow"
class="">lmkl</span>_<span style="background:none repeat
scroll 0% 0% yellow" class="">blacs</span>_ilp64 -L/opt/<span
style="background:none repeat scroll 0% 0% yellow"
class="">intel</span>/<span style="background:none repeat
scroll 0% 0% yellow" class="">impi</span>/4.1.3/lib64/ -<span
style="background:none repeat scroll 0% 0% yellow"
class="">lmpi</span> <br>
<br>
<span style="background:none repeat scroll 0% 0% yellow"
class="">ld</span>: cannot find -lfftw3_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span><br>
<br>
make[1]: *** [<span style="background:none repeat scroll 0%
0% yellow" class="">hfc</span>_<span
style="background:none repeat scroll 0% 0% yellow"
class="">mpi</span>] Error 1<br>
make[1]: Leaving directory `/home/<span
style="background:none repeat scroll 0% 0% yellow"
class="">lpat</span>/Documents/wien2k/<span
style="background:none repeat scroll 0% 0% yellow"
class="">SRC</span>_hf'<br>
make: *** [<span style="background:none repeat scroll 0% 0%
yellow" class="">cp</span>] Error 2 <br>
<br>
</div>
<div>Now the error : <span style="background:none repeat
scroll 0% 0% yellow" class="">ld</span>: cannot find -<span
style="background:none repeat scroll 0% 0% yellow"
class="">lfftw</span> have <span style="background:none
repeat scroll 0% 0% yellow" class="">despaired</span> .<br>
<br>
</div>
<div>please help me .<br>
</div>
<div><br>
</div>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
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</pre>
</blockquote>
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