mkl version == 10.2.1.017<br>OS == CentOS 5.3<br>cpu == Dual Core AMD Opteron(tm) Processor 275<br><br><br><div class="gmail_quote">On Mon, Aug 31, 2009 at 11:30 AM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">You need to include the appropriate path for your mkl, 64bit if you<br>
have, or 32bit. Without knowing exactly what mkl/OS/CPU you have it's<br>
hard to say for certain.<br>
<div><div></div><div><br>
2009/8/31 Jeff DeReus <<a href="mailto:jdereus@gmail.com" target="_blank">jdereus@gmail.com</a>>:<br>
> sorry, bad wording. both the compilers and mkl are non-commercial.<br>
><br>
> Thank you,<br>
> JD<br>
><br>
> On Mon, Aug 31, 2009 at 11:03 AM, Laurence Marks <<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>><br>
> wrote:<br>
>><br>
>> You need to get the non-commercial mkl libraries.<br>
>><br>
>> 2009/8/31 Jeff DeReus <<a href="mailto:jdereus@gmail.com" target="_blank">jdereus@gmail.com</a>>:<br>
>> > I am trying to compile WIEN2K_09 and running into some issues. I was<br>
>> > hoping<br>
>> > to get some assistance from the user community.<br>
>> ><br>
>> > I am running CentOS5.3 on dual core dell machines, intel non-commercial<br>
>> > compilers and mkl.<br>
>> ><br>
>> > there is no mkl_em64t anywhere on my system so i have had to comment<br>
>> > that<br>
>> > out in order to get a compilation to come close to completing properly.<br>
>> > if<br>
>> > anyone has information pertaining to the missing mkl_em64t, it would be<br>
>> > most<br>
>> > appreciated.<br>
>> ><br>
>> > here is the section of my siteconfig relevant to the IFC 10 selection.<br>
>> > i<br>
>> > have had to explicitly define the location of the lapack and mkl_core<br>
>> > libraries for them to be found.<br>
>> ><br>
>> > # Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken; -static<br>
>> > does<br>
>> > not give traceback-lines)<br>
>> > linuxif9:FC:ifort<br>
>> > linuxif9:MPF:ifort<br>
>> > linuxif9:CC:cc<br>
>> > linuxif9:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML<br>
>> > -traceback<br>
>> > linuxif9:FPOPT:$(FOPT)<br>
>> > linuxif9:LDFLAGS: $(FOPT) -L/opt/intel/mkl/<a href="http://10.0.2.017/lib/em64t" target="_blank">10.0.2.017/lib/em64t</a><br>
>> > -pthread<br>
>> > -i-static<br>
>> > linuxif9:R_LIBS:-L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_lapack.so" target="_blank">10.2.1.017/lib/em64t/libmkl_lapack.so</a><br>
>> > -lguide -L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_core.so" target="_blank">10.2.1.017/lib/em64t/libmkl_core.so</a><br>
>> > #-lmkl_em64t<br>
>> > linuxif9:DPARALLEL:'-DParallel'<br>
>> > linuxif9:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64<br>
>> > -lmkl_sequential -L /opt/local/fftw/lib/ -lfftw_mpi -lfftw<br>
>> > linuxif9:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br>
>> ><br>
>> ><br>
>> > during the siteconfig_lapw process i see errors such as these --<br>
>> ><br>
>> > follown.o: In function `follown_':<br>
>> > follown.f:(.text+0x697): undefined reference to `dsyev_'<br>
>> > follown.o: In function `stepper_':<br>
>> > follown.f:(.text+0xede): undefined reference to `dsyev_'<br>
>> > follown.o: In function `maxeigen_':<br>
>> > follown.f:(.text+0x1209): undefined reference to `dsyev_'<br>
>> > make[1]: *** [aim] Error 1<br>
>> > make[1]: Leaving directory `/scratch/wein2k/SRC_aim'<br>
>> > make: *** [real] Error 2<br>
>> ><br>
>> > bandv1.o: In function `bandv1_':<br>
>> > bandv1.f:(.text+0xc23): undefined reference to `dlarnv_'<br>
>> > calkpt.o: In function `calkpt_':<br>
>> > calkpt_tmp_.F:(.text+0x6e2): undefined reference to `dswap_'<br>
>> > dblr2k.o: In function `dblr2k_':<br>
>> > dblr2k.f:(.text+0x72): undefined reference to `dsyr2k_'<br>
>> > dblr2k.f:(.text+0xf5): undefined reference to `dgemm_'<br>
>> > dblr2k.f:(.text+0x16d): undefined reference to `dgemm_'<br>
>> > dgeqrl.o: In function `dgeqrl_':<br>
>> > dgeqrl.f:(.text+0x6f): undefined reference to `lsame_'<br>
>> > dgeqrl.f:(.text+0x173): undefined reference to `dlarf_'<br>
>> > dgeqrl.f:(.text+0x2c2): undefined reference to `dlarf_'<br>
>> > dgewy.o: In function `dgewy_':<br>
>> > dgewy.f:(.text+0x5d): undefined reference to `lsame_'<br>
>> > dgewy.f:(.text+0xc9): undefined reference to `dgemm_'<br>
>> > dgewy.f:(.text+0x127): undefined reference to `dgemm_'<br>
>> > dgewy.f:(.text+0x182): undefined reference to `dgemm_'<br>
>> > dgewy.f:(.text+0x1e2): undefined reference to `dgemm_'<br>
>> ><br>
>> > doing --<br>
>> > grep -i "error" */compile.msg | grep -v arguments | grep -v know<br>
>> ><br>
>> > gives this information<br>
>> ><br>
>> > [root@machine1 wein2k]# grep -i "error" */compile.msg | grep -v<br>
>> > arguments |<br>
>> > grep -v knowSRC_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_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_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_qtl/compile.msg:make: *** [qtl] Error 1<br>
>> ><br>
>> > i have searched the list archives for mention of this and have seen<br>
>> > nothing. i have searched elsewhere and see no information regarding<br>
>> > this.<br>
>> ><br>
>> > at the end of compilation i can run a cif2struct and it seems to<br>
>> > function<br>
>> > properly.<br>
>> ><br>
>> > If anyone has any information that could be of assistance to me it would<br>
>> > be<br>
>> > greatly appreciated.<br>
>> ><br>
>> > Thank you,<br>
>> > JD<br>
>> ><br>
>> > _______________________________________________<br>
>> > Wien mailing list<br>
>> > <a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
>> > <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
>> ><br>
>> ><br>
>><br>
>><br>
>><br>
>> --<br>
>> Laurence Marks<br>
>> Department of Materials Science and Engineering<br>
>> MSE Rm 2036 Cook Hall<br>
>> 2220 N Campus Drive<br>
>> Northwestern University<br>
>> Evanston, IL 60208, USA<br>
>> Tel: (847) 491-3996 Fax: (847) 491-7820<br>
>> email: L-marks at northwestern dot edu<br>
>> Web: <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>
>> Chair, Commission on Electron Crystallography of IUCR<br>
>> <a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu/</a><br>
>> Electron crystallography is the branch of science that uses electron<br>
>> scattering to study the structure of matter.<br>
>> _______________________________________________<br>
>> Wien mailing list<br>
>> <a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
>> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
><br>
><br>
> _______________________________________________<br>
> Wien mailing list<br>
> <a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
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><br>
><br>
<br>
<br>
<br>
--<br>
Laurence Marks<br>
Department of Materials Science and Engineering<br>
MSE Rm 2036 Cook Hall<br>
2220 N Campus Drive<br>
Northwestern University<br>
Evanston, IL 60208, USA<br>
Tel: (847) 491-3996 Fax: (847) 491-7820<br>
email: L-marks at northwestern dot edu<br>
Web: <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>
Chair, Commission on Electron Crystallography of IUCR<br>
<a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu/</a><br>
Electron crystallography is the branch of science that uses electron<br>
scattering to study the structure of matter.<br>
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</div></div></blockquote></div><br>