[Wien] failed compilation wien2k

Mon Aug 31 20:02:57 CEST 2009

mkl version == 10.2.1.017
OS == CentOS 5.3
cpu == Dual Core AMD Opteron(tm) Processor 275

On Mon, Aug 31, 2009 at 11:30 AM, Laurence Marks
<L-marks at northwestern.edu>wrote:

> You need to include the appropriate path for your mkl, 64bit if you
> have, or 32bit. Without knowing exactly what mkl/OS/CPU you have it's
> hard to say for certain.
>
> 2009/8/31 Jeff DeReus <jdereus at gmail.com>:
> > sorry, bad wording.  both the compilers and mkl are non-commercial.
> >
> > Thank you,
> > JD
> >
> > On Mon, Aug 31, 2009 at 11:03 AM, Laurence Marks <
> L-marks at northwestern.edu>
> > wrote:
> >>
> >> You need to get the non-commercial mkl libraries.
> >>
> >> 2009/8/31 Jeff DeReus <jdereus at gmail.com>:
> >> > I am trying to compile WIEN2K_09 and running into some issues.  I was
> >> > hoping
> >> > to get some assistance from the user community.
> >> >
> >> > I am running CentOS5.3 on dual core dell machines, intel
> non-commercial
> >> > compilers and mkl.
> >> >
> >> > there is no mkl_em64t anywhere on my system so i have had to comment
> >> > that
> >> > out in order to get a compilation to come close to completing
> properly.
> >> > if
> >> > anyone has information pertaining to the missing mkl_em64t, it would
> be
> >> > most
> >> > appreciated.
> >> >
> >> > here is the section of my siteconfig relevant to the IFC 10 selection.
> >> > i
> >> > have had to explicitly define the location of the lapack and mkl_core
> >> > libraries for them to be found.
> >> >
> >> > # Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken;
> -static
> >> > does
> >> > not give traceback-lines)
> >> > linuxif9:FC:ifort
> >> > linuxif9:MPF:ifort
> >> > linuxif9:CC:cc
> >> > linuxif9:FOPT:-FR -mp1 -w -prec_div  -pc80 -pad -align -DINTEL_VML
> >> > -traceback
> >> > linuxif9:FPOPT:$(FOPT)
> >> > linuxif9:LDFLAGS:  $(FOPT) -L/opt/intel/mkl/10.0.2.017/lib/em64t
> >> > -pthread
> >> > -i-static
> >> > linuxif9:R_LIBS:-L/opt/intel/mkl/
> 10.2.1.017/lib/em64t/libmkl_lapack.so
> >> > -lguide -L/opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_core.so
> >> > #-lmkl_em64t
> >> > linuxif9:DPARALLEL:'-DParallel'
> >> > linuxif9:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64
> -lmkl_blacs_lp64
> >> > -lmkl_sequential  -L /opt/local/fftw/lib/ -lfftw_mpi -lfftw
> >> > linuxif9:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> >> >
> >> >
> >> > during the siteconfig_lapw process i see errors such as these --
> >> >
> >> > follown.o: In function `follown_':
> >> > follown.f:(.text+0x697): undefined reference to `dsyev_'
> >> > follown.o: In function `stepper_':
> >> > follown.f:(.text+0xede): undefined reference to `dsyev_'
> >> > follown.o: In function `maxeigen_':
> >> > follown.f:(.text+0x1209): undefined reference to `dsyev_'
> >> > make[1]: *** [aim] Error 1
> >> > make[1]: Leaving directory `/scratch/wein2k/SRC_aim'
> >> > make: *** [real] Error 2
> >> >
> >> > bandv1.o: In function `bandv1_':
> >> > bandv1.f:(.text+0xc23): undefined reference to `dlarnv_'
> >> > calkpt.o: In function `calkpt_':
> >> > calkpt_tmp_.F:(.text+0x6e2): undefined reference to `dswap_'
> >> > dblr2k.o: In function `dblr2k_':
> >> > dblr2k.f:(.text+0x72): undefined reference to `dsyr2k_'
> >> > dblr2k.f:(.text+0xf5): undefined reference to `dgemm_'
> >> > dblr2k.f:(.text+0x16d): undefined reference to `dgemm_'
> >> > dgeqrl.o: In function `dgeqrl_':
> >> > dgeqrl.f:(.text+0x6f): undefined reference to `lsame_'
> >> > dgeqrl.f:(.text+0x173): undefined reference to `dlarf_'
> >> > dgeqrl.f:(.text+0x2c2): undefined reference to `dlarf_'
> >> > dgewy.o: In function `dgewy_':
> >> > dgewy.f:(.text+0x5d): undefined reference to `lsame_'
> >> > dgewy.f:(.text+0xc9): undefined reference to `dgemm_'
> >> > dgewy.f:(.text+0x127): undefined reference to `dgemm_'
> >> > dgewy.f:(.text+0x182): undefined reference to `dgemm_'
> >> > dgewy.f:(.text+0x1e2): undefined reference to `dgemm_'
> >> >
> >> > doing --
> >> > grep -i "error" */compile.msg | grep -v arguments | grep -v know
> >> >
> >> > gives this information
> >> >
> >> > [root at machine1 wein2k]# grep -i "error" */compile.msg | grep -v
> >> > arguments |
> >> > grep -v knowSRC_aim/compile.msg:make[1]: *** [aim] Error 1
> >> > SRC_aim/compile.msg:make: *** [real] Error 2
> >> > SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
> >> > SRC_aim/compile.msg:make: *** [complex] Error 2
> >> > SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
> >> > SRC_lapw1/compile.msg:make: *** [real] Error 2
> >> > SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
> >> > SRC_lapw1/compile.msg:make: *** [complex] Error 2
> >> > SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
> >> > SRC_lapw2/compile.msg:make: *** [real] Error 2
> >> > SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
> >> > SRC_lapw2/compile.msg:make: *** [complex] Error 2
> >> > SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
> >> > SRC_lapwdm/compile.msg:make: *** [real] Error 2
> >> > SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
> >> > SRC_lapwdm/compile.msg:make: *** [complex] Error 2
> >> > SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
> >> > SRC_mini/compile.msg:make: *** [mini] Error 1
> >> > SRC_qtl/compile.msg:make: *** [qtl] Error 1
> >> >
> >> > i have searched the list archives for mention of this and have seen
> >> > nothing.  i have searched elsewhere and see no information regarding
> >> > this.
> >> >
> >> > at the end of compilation i can run a cif2struct and it seems to
> >> > function
> >> > properly.
> >> >
> >> > If anyone has any information that could be of assistance to me it
> would
> >> > be
> >> > greatly appreciated.
> >> >
> >> > Thank you,
> >> > JD
> >> >
> >> > _______________________________________________
> >> > Wien mailing list
> >> > Wien at zeus.theochem.tuwien.ac.at
> >> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >> >
> >> >
> >>
> >>
> >>
> >> --
> >> Laurence Marks
> >> Department of Materials Science and Engineering
> >> MSE Rm 2036 Cook Hall
> >> 2220 N Campus Drive
> >> Northwestern University
> >> Evanston, IL 60208, USA
> >> Tel: (847) 491-3996 Fax: (847) 491-7820
> >> email: L-marks at northwestern dot edu
> >> Web: www.numis.northwestern.edu
> >> Chair, Commission on Electron Crystallography of IUCR
> >> www.numis.northwestern.edu/
> >> Electron crystallography is the branch of science that uses electron
> >> scattering to study the structure of matter.
> >> _______________________________________________
> >> Wien mailing list
> >> Wien at zeus.theochem.tuwien.ac.at
> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
>
>
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses electron
> scattering to study the structure of matter.
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
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