sorry, bad wording. both the compilers and mkl are non-commercial.<br><br>Thank you,<br>JD<br><br><div class="gmail_quote">On Mon, Aug 31, 2009 at 11:03 AM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu">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 get the non-commercial mkl libraries.<br>
<br>
2009/8/31 Jeff DeReus <<a href="mailto:jdereus@gmail.com">jdereus@gmail.com</a>>:<br>
<div><div></div><div class="h5">> I am trying to compile WIEN2K_09 and running into some issues. I was 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 that<br>
> out in order to get a compilation to come close to completing properly. if<br>
> anyone has information pertaining to the missing mkl_em64t, it would be most<br>
> appreciated.<br>
><br>
> here is the section of my siteconfig relevant to the IFC 10 selection. 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 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> -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 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 this.<br>
><br>
> at the end of compilation i can run a cif2struct and it seems to function<br>
> properly.<br>
><br>
> If anyone has any information that could be of assistance to me it would be<br>
> greatly appreciated.<br>
><br>
> Thank you,<br>
> JD<br>
><br>
</div></div>> _______________________________________________<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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</blockquote></div><br>