[Wien] (no subject)

[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