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<div class="moz-cite-prefix">If you used the "recommended" compiler
options given by Wien2k, there are two possible causes:<br>
<br>
1. Environmental Variables are not set correctly. .bashrc might
not work on Ubuntu do to previously mentioned bug #366728
(<a class="moz-txt-link-freetext" href="https://help.ubuntu.com/community/EnvironmentVariables">https://help.ubuntu.com/community/EnvironmentVariables</a>). So a
solution is to create a .conf file, I believe for 32 bit Ubuntu
and update 3 of composerxe: <br>
<br>
cd /etc/ld.so.conf.d<br>
sudo vi wien2k.conf<br>
Add the following two lines to wien2k.conf and save the file:<br>
/opt/intel/composerxe-2011.3.174/mkl/lib/ia32<br>
/opt/intel/composerxe-2011.3.174/compiler/lib/ia32<br>
sudo ldconfig<br>
<br>
2. Recommended compiler options are for 64 linux. i686 => 32
bit Ubuntu. For 32 bit, use same "recommended" options, expect in
R_LIBS where <font face="Times New Roman">-lmkl_lapack95_lp64
-lmkl_intel_lp64</font> are replaced with <font face="Times New
Roman">-lmkl_lapack95 -lmkl_intel</font>, respectively.<br>
<br>
If the error is not from the above two causes, you have to check
at least one of the compile.msg files in your message for more
information on the cause of the error (cat
$WIENROOT/SRC_aim/compile.msg).<br>
<br>
You might also consider upgrading to Wien2k 12.1 that has several
11.1 bug fixes and new features.<br>
<br>
On 8/6/2012 1:44 AM, AJAY SINGH VERMA wrote:<br>
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Intel(R) Fortran Compiler XE 12.1 Update 3 for Linux*<br>
#33-Ubuntu SMP Sun Sep 19 20:34:50 UTC 2010 i686 GNU/Linux<br>
<br>
<div>> From: <a class="moz-txt-link-abbreviated" href="mailto:m-koshino@aist.go.jp">m-koshino@aist.go.jp</a><br>
> Date: Mon, 6 Aug 2012 16:40:22 +0900<br>
> To: <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br>
> Subject: Re: [Wien] compiling of WIEN2K..11.1 version<br>
> <br>
> Dear Ajay,<br>
> <br>
> You should provide some more information such as ifort
version.<br>
> <br>
> Some people have already discussed that WIEN2k_ver11
cannot be<br>
> compiled properly with some later version of ifort.<br>
> <br>
> I examined upto ifort (composer xe) update 4 works but no
later version.<br>
> Some people use much earlier version.<br>
> <br>
> For Wien2k_ver.12, much later version of fort might work
but not for sure.<br>
> <br>
> Hope this information helps you.<br>
> <br>
> Masanori Koshino<br>
> AIST, JAPAN<br>
> <br>
> <br>
> <br>
> On 2012/08/06, at 16:17, AJAY SINGH VERMA wrote:<br>
> <br>
> > Respected wien 2k users,<br>
> > Please give me the reasons why am not able to
compile wien2k 11.1 in my PC with ifort..i got frustrated
plzzz help and help me to come out of this problem <br>
> > Compilation is giving the following errors<br>
> >
#################################################################<br>
> > getsgname.o getzz.o structgen.o scan_cif.o ciftbx.o
hash_funcs.o test_sgname.o scan_in.o scan_octave.o<br>
> > Copying programs<br>
> > SRC_afminput/afminput<br>
> > WARNING: no executable found in SRC_aim. Check
compile.msg in this directory<br>
> > SRC_arrows/arrows<br>
> > SRC_broadening/broadening<br>
> > SRC_cif2struct/cif2struct<br>
> > SRC_clmaddsub/clmaddsub<br>
> > SRC_clmcopy/clmcopy<br>
> > WARNING: no executable found in SRC_dipan. Check
compile.msg in this directory<br>
> > SRC_dstart/dstart<br>
> > SRC_eosfit/eosfit<br>
> > SRC_eosfit6/eosfit6<br>
> > WARNING: no executable found in SRC_filtvec. Check
compile.msg in this directory<br>
> > SRC_initelnes/initelnes<br>
> > SRC_initxspec/initxspec<br>
> > SRC_irrep/irrep<br>
> > SRC_joint/joint<br>
> > SRC_kgen/kgen<br>
> > SRC_kram/kram<br>
> > WARNING: no executable found in SRC_lapw0. Check
compile.msg in this directory<br>
> > WARNING: no executable found in SRC_lapw1. Check
compile.msg in this directory<br>
> > WARNING: no executable found in SRC_lapw2. Check
compile.msg in this directory<br>
> > SRC_lapw3/lapw3<br>
> > SRC_lapw3/lapw3c<br>
> > SRC_lapw5/lapw5<br>
> > SRC_lapw5/lapw5c<br>
> > WARNING: no executable found in SRC_lapw7. Check
compile.msg in this directory<br>
> > WARNING: no executable found in SRC_lapwdm. Check
compile.msg in this directory<br>
> > WARNING: no executable found in SRC_lapwso. Check
compile.msg in this directory<br>
> > SRC_lcore/lcore<br>
> > SRC_lorentz/lorentz<br>
> > SRC_lstart/lstart<br>
> > WARNING: no executable found in SRC_mini. Check
compile.msg in this directory<br>
> > WARNING: no executable found in SRC_mixer. Check
compile.msg in this directory<br>
> > SRC_nn/nn<br>
> > SRC_optic/optic<br>
> > SRC_optic/opticc<br>
> > SRC_optimize/optimize<br>
> > SRC_orb/orb<br>
> > WARNING: no executable found in SRC_pairhess. Check
compile.msg in this directory<br>
> > WARNING: no executable found in SRC_qtl. Check
compile.msg in this directory<br>
> > SRC_reformat/reformat<br>
> > SRC_sgroup/sgroup<br>
> > SRC_spacegroup/spacegroup<br>
> > SRC_spaghetti/spaghetti<br>
> > SRC_sumpara/sumpara<br>
> > SRC_supercell/supercell<br>
> > SRC_symmetry/symmetry<br>
> > SRC_symmetso/symmetso<br>
> > SRC_telnes3/telnes3<br>
> > SRC_tetra/tetra<br>
> > SRC_txspec/txspec<br>
> > WARNING: no executable found in SRC_vecpratt. Check
compile.msg in this directory<br>
> > SRC_w2web/w2web<br>
> > cp: `SRC_w2web/w2web' and `/home/sheetal/wein/w2web'
are the same file<br>
> > WARNING: no executable found in
SRC_structeditor/SRC_ncmsymmetry. Check compile.msg in this
directory<br>
> > SRC_structeditor/SRC_readwrite/readwrite<br>
> > SRC_structeditor/SRC_struct2mol/struct2mol<br>
> > SRC_structeditor/SRC_structgen/structgen<br>
> > <br>
> > done.<br>
> > <br>
> > Compile time errors (if any) were:<br>
> > SRC_aim/compile.msg:make[1]: *** [aim] Error 1<br>
> > SRC_aim/compile.msg:make: *** [real] Error 2<br>
> > SRC_aim/compile.msg:make[1]: *** [aimc] Error 1<br>
> > SRC_aim/compile.msg:make: *** [complex] Error 2<br>
> > SRC_dipan/compile.msg:make: *** [dipan] Error 1<br>
> > SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error
1<br>
> > SRC_filtvec/compile.msg:make: *** [real] Error 2<br>
> > SRC_filtvec/compile.msg:make[1]: *** [filtvecc]
Error 1<br>
> > SRC_filtvec/compile.msg:make: *** [complex] Error 2<br>
> > SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1<br>
> > SRC_lapw0/compile.msg:make: *** [seq] Error 2<br>
> > SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1<br>
> > SRC_lapw1/compile.msg:make: *** [real] Error 2<br>
> > SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1<br>
> > SRC_lapw1/compile.msg:make: *** [complex] Error 2<br>
> > SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1<br>
> > SRC_lapw2/compile.msg:make: *** [real] Error 2<br>
> > SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1<br>
> > SRC_lapw2/compile.msg:make: *** [complex] Error 2<br>
> > SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1<br>
> > SRC_lapw7/compile.msg:make: *** [real] Error 2<br>
> > SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1<br>
> > SRC_lapw7/compile.msg:make: *** [complex] Error 2<br>
> > SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1<br>
> > SRC_lapwdm/compile.msg:make: *** [real] Error 2<br>
> > SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error
1<br>
> > SRC_lapwdm/compile.msg:make: *** [complex] Error 2<br>
> > SRC_lapwso/compile.msg:make: *** [lapwso] Error 1<br>
> > SRC_mini/compile.msg:make: *** [mini] Error 1<br>
> > SRC_mixer/compile.msg:make: *** [mixer] Error 1<br>
> > SRC_pairhess/compile.msg:make: *** [pairhess] Error
1<br>
> > SRC_qtl/compile.msg:make: *** [qtl] Error 1<br>
> > SRC_structeditor/compile.msg:make[1]: ***
[ncmsymmetry] Error 1<br>
> > SRC_structeditor/compile.msg:make: *** [all] Error 2<br>
> > SRC_vecpratt/compile.msg:make[1]: *** [vecpratt]
Error 1<br>
> > SRC_vecpratt/compile.msg:make: *** [real] Error 2<br>
> > SRC_vecpratt/compile.msg:make[1]: *** [vecprattc]
Error 1<br>
> > SRC_vecpratt/compile.msg:make: *** [complex] Error 2<br>
> > SRC_structeditor/SRC_ncmsymmetry/compile.msg:make:
*** [ncmsymmetry] Error 1<br>
> >
#####################################################<br>
> > Thanks in advance<br>
> > Ajay<br>
> > <br>
> > _______________________________________________<br>
> > Wien mailing list<br>
> > <a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
> >
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
> <br>
> _______________________________________________<br>
> Wien mailing list<br>
> <a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
> <a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
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<pre wrap="">_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
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