[Wien] (no subject)

[Gerhard H Fecher]

Some remark about the compiler and linker options:
I think the -Vaxlib is not longer needed for newer versions of the Intel 
compiler from 8.x upwards (may depend on version of mkl, too).

-pthread should probably be -lpthread, it seems it is needed if one uses 
processor specific compile options like -tpp7 -xW for PIV optimizations. -xW 
performs some loop vectorization, but I did not check if the program becomes 
faster, I experienced that some programs are faster if one combines it with 
-O2 instead of -O3, the latter may do some over-optimizations.

The siteconfig_lapw script does not find the mkl if the path is 
not /opt/intel/mkl72/lib/32/, in that case one may change in the script to 
the path were mkl is located. For some other things one may change the 
linuxif8 or linucifc sections in particular if setting up several identical 
computer.

Ciao Gerhard





Am Freitag, 26. August 2005 11:29 schrieb Stefaan Cottenier:
> 
> The undefined references in hamilt are due to vml. I think you can solve
> it either by removing -DINTEL_VML from the compiler options, or by
> adding -lvml to the linker options (libvml.so can be found in the mkl
> package). 
> 
> I suspect a typing error in the options you sent:
> 
> > O    compiler options:-FR -mp1 -w -prec_div -pc80 -pad -ip
> > -DINTEL_VML
> > L    Linker Flags:-L../SRC_lib -L/opt/intel/mkl721/lib/32
> > -/opt/intel_fc_80/lib
> > -L/lib -Vaxlib -pthread 
> > P    preprocessor flags:'-DParallel'
> > R    R_LIB(LAPACK+BLAS):/opt/goto/libgoto_northwood-32-r0.99-3.so
> > -llapack_lapw 
> 
> There is an -L missing in front of your intel_fc_80 (maybe vml is there
> as well?). Also, if you specify the path to goto by -L in your linker
> options, you can simpy use -lgoto_northwood-32-r0.99-3 in the R-line.
> 
> Get inspiration by the following (working) example:
> 
> O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip 
> -DINTEL_VML
>      L   Linker Flags:            -L/apps/prod/math-lib/goto 
> -L/apps/prod/math-lib/mkl72/lib/em64t -L/lib64 -L../SRC_lib -pthread 
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -lgoto_opt64-r0.96-2 -llapack_lapw -lvml
> 
> Stefaan
> 
> 
> > Dear Users and Mr. Stefaan Cottenier,
> > I am trying to compiling wien2k on a Pentium 4 computer with
> > Northwood core using
> > ifort8.1 and goto-library. I have also installed mkl7.2 on my
> > computer. The
> > relevant settings are as follows:
> > 
> > O    compiler options:-FR -mp1 -w -prec_div -pc80 -pad -ip
> > -DINTEL_VML
> > L    Linker Flags:-L../SRC_lib -L/opt/intel/mkl721/lib/32
> > -/opt/intel_fc_80/lib
> > -L/lib -Vaxlib -pthread 
> > P    preprocessor flags:'-DParallel'
> > R    R_LIB(LAPACK+BLAS):/opt/goto/libgoto_northwood-32-r0.99-3.so
> > -llapack_lapw 
> > 
> > 
> > When the compilation finish,the error message says:SRC_lapw1 compile
> > error.And in
> > the ../SRC_lapw1/complier.msg I find that:
> > 
> > ifort  -o ./lapw1 abc.o atpar.o bandv1.o calkpt.o cbcomb.o coors.o
> > cputim.o
> > dblr2k.o dgeqrl.o dgewy.o dgewyg.o dlbrfg.o dsbein1.o dscgst.o
> > dstebz2.o dsyevx2.o
> > dsymm2.o dsyr2m.o dsyrb4.o dsyrb5l.o dsyrdt4.o dsytrd2.o dsywyv.o
> > dsyxev4.o
> > dvbes1.o eisps.o errclr.o errflg.o forfhs.o gaunt1.o gaunt2.o gbass.o
> > gtfnam.o
> > hamilt.o hns.o horb.o inikpt.o inilpw.o lapw1.o latgen.o lmsort.o
> > locdef.o lohns.o
> > lopw.o matmm.o modules.o nn.o outerr.o outwin.o pdsyevx16.o prtkpt.o
> > prtres.o
> > pzheevx16.o rdswar.o rint13.o rotate.o rotdef.o seclit.o seclr4.o
> > seclr5.o
> > select.o service.o setkpt.o setwar.o sphbes.o stern.o tapewf.o
> > ustphx.o vectf.o
> > warpin.o wfpnt.o wfpnt1.o ylm.o zhcgst.o zheevx2.o zhemm2.o zher2m.o
> > zhetrd2.o
> > pdsyr2m.o pzher2m.o -L../SRC_lib -L/opt/intel/mkl721/lib/32
> > -L/opt/intel_fc_80/lib
> > -L/lib -Vaxlib -pthread /opt/goto/libgoto_northwood-32-r0.99-3.so
> > -llapack_lapw 
> > hamilt.o(.text+0x245c): In function `hamilt_':
> > : undefined reference to `vdcos_'
> > hamilt.o(.text+0x3296): In function `hamilt_':
> > : undefined reference to `vdsincos_'
> > hamilt.o(.text+0x32c2): In function `hamilt_':
> > : undefined reference to `vdinv_'
> > make[1]: *** [lapw1] Error 1
> > make[1]: Leaving directory `/home/liuzw/wien/SRC_lapw1'
> > make: *** [real] Error 2
> > 
> > 
> > So my question is:
> > Is the goto-library used properly? Is there something wrong with
> > using goto-lib?
> > If yes,Could you give me some advice and introduction of using
> > goto-library? 
> > Best wishes.
> > 
> > 
> > 
> > 
> > 
> > 
> > 
> > ------------------------------
> > ------------------------------
> > Zaiwen Liu
> > Key Labortory for Magnetism and Magnetic Materials of the Ministry of
> > Education
> > Lanzhou University
> > Lanzhou, Gansu Province, China
> > Tel: +86-931-891-2237 
> > Email: liuzw03 at st.lzu.edu.cn
> > http://magnetism.lzu.edu.cn
> > ------------------------------
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> > 
> 
> 
> -- 
> Stefaan Cottenier
> Instituut voor Kern- en Stralingsfysica
> K.U.Leuven
> Celestijnenlaan 200 D
> B-3001 Leuven (Belgium)
> 
> tel: + 32 16 32 71 45
> fax: + 32 16 32 79 85
> e-mail: stefaan.cottenier at fys.kuleuven.ac.be
> 
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