[Wien] error of compilation for Wien2k_07 in SRC_mini

[Laurence Marks]

A google of dgeqrf indicates that this is a lapack routine which has
been added to the function which uses constraints (which I have not
looked at). It looks like this is not in your lapack libraries and/or
you do not have the correct options to include it. (Maybe it should be
added to SRC_lib so this is self sufficient, albeit slower.)

On 2/12/07, Benali Ben <kanoun_benali at yahoo.fr> wrote:
> Dear wien user
>
> I have compiled wien07 with the following options
> current:FOPT:-Mfreeform -fast -Kieee
> current:FPOPT:-Mfreeform -fast -Kieee
> current:LDFLAGS:-L../SRC_lib
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-llapack_lapw -lblas
> current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas
> -lredist -ltools -lscalapack -lfblacs -lblacs -lmpi
>
> and for pgf90 compiler but still have error in SRC_mini
>
>
> make: Circular atomgrid.o <- atomgrid.o dependency dropped.
> make: Circular mxpmgrid.o <- atomgrid.o dependency dropped.
> make: Circular mxpmgrid.o <- mxpmgrid.o dependency dropped.
> pgf90  -Mfreeform -fast -Kieee -c mxpmgrid.f
> pgf90  -Mfreeform -fast -Kieee -c atomgrid.f
> pgf90  -Mfreeform -fast -Kieee -c dfpmin.f
> pgf90  -Mfreeform -fast -Kieee -c errclr.f
> pgf90  -Mfreeform -fast -Kieee -c errflg.f
> pgf90  -Mfreeform -fast -Kieee -c finish.f
> pgf90  -Mfreeform -fast -Kieee -c func.f
> pgf90  -Mfreeform -fast -Kieee -c gbass.f
> pgf90  -Mfreeform -fast -Kieee -c gtfnam.f
> pgf90  -Mfreeform -fast -Kieee -c haupt.f
> pgf90  -Mfreeform -fast -Kieee -c ininos.f
> pgf90  -Mfreeform -fast -Kieee -c inv.f
> pgf90  -Mfreeform -fast -Kieee -c latgen.f
> pgf90  -Mfreeform -fast -Kieee -c lnsrch.f
> pgf90  -Mfreeform -fast -Kieee -c maxstp.f
> pgf90  -Mfreeform -fast -Kieee -c mini.f
> pgf90  -Mfreeform -fast -Kieee -c mold0.f
> pgf90  -Mfreeform -fast -Kieee -c mold.f
> pgf90  -Mfreeform -fast -Kieee -c nn.f
> pgf90  -Mfreeform -fast -Kieee -c nose.f
> pgf90  -Mfreeform -fast -Kieee -c nose0.f
> pgf90  -Mfreeform -fast -Kieee -c nwtmin.f
> pgf90  -Mfreeform -fast -Kieee -c outerr.f
> pgf90  -Mfreeform -fast -Kieee -c pairdis.f
> pgf90  -Mfreeform -fast -Kieee -c rotate.f
> pgf90  -Mfreeform -fast -Kieee -c rotdef.f
> pgf90  -Mfreeform -fast -Kieee -c wrtscf.f
> pgf90  -Mfreeform -fast -Kieee -c latmix.f
> pgf90  -Mfreeform -fast -Kieee -c distxy.f
> pgcc -c mdble.c
> pgf90  -Mfreeform -fast -Kieee -c d1mach.f
> pgf90  -Mfreeform -fast -Kieee -c ditsum.f
> pgf90  -Mfreeform -fast -Kieee -c dr7mdc.f
> pgf90  -Mfreeform -fast -Kieee -c dv7cpy.f
> pgf90  -Mfreeform -fast -Kieee -c i7mdcn.f
> pgf90  -Mfreeform -fast -Kieee -c divset.f
> pgf90  -Mfreeform -fast -Kieee -c drldst.f
> pgf90  -Mfreeform -fast -Kieee -c dv7dfl.f
> pgf90  -Mfreeform -fast -Kieee -c dl7itv.f
> pgf90  -Mfreeform -fast -Kieee -c drmng.f
> pgf90  -Mfreeform -fast -Kieee -c dv7scp.f
> pgf90  -Mfreeform -fast -Kieee -c stopx.f
> pgf90  -Mfreeform -fast -Kieee -c dl7ivm.f
> pgf90  -Mfreeform -fast -Kieee -c dv7vmp.f
> pgf90  -Mfreeform -fast -Kieee -c dl7tvm.f
> pgf90  -Mfreeform -fast -Kieee -c drmngwien.f
> pgf90  -Mfreeform -fast -Kieee -c dw7zbf.f
> pgf90  -Mfreeform -fast -Kieee -c da7sst.f
> pgf90  -Mfreeform -fast -Kieee -c dl7upd.f
> pgf90  -Mfreeform -fast -Kieee -c func2.f
> pgf90  -Mfreeform -fast -Kieee -c dd7dog.f
> pgf90  -Mfreeform -fast -Kieee -c dl7vml.f
> pgf90  -Mfreeform -fast -Kieee -c dv2axy.f
> pgf90  -Mfreeform -fast -Kieee -c traptouch.f
> pgf90  -Mfreeform -fast -Kieee -c dd7tpr.f
> pgf90  -Mfreeform -fast -Kieee -c dparck.f
> pgf90  -Mfreeform -fast -Kieee -c dv2nrm.f
> pgf90  -Mfreeform -fast -Kieee -c constr.f
> pgf90 -o ./mini atomgrid.o mxpmgrid.o dfpmin.o  errclr.o  errflg.o  finish.o
>  func.o    gbass.o gtfnam.o  haupt.o   ininos.o  inv.o     latgen.o
> lnsrch.o maxstp.o  mini.o    mold0.o   mold.o    nn.o      nose.o nose0.o
> nwtmin.o  outerr.o  pairdis.o rotate.o  rotdef.o wrtscf.o  latmix.o
> distxy.o mdble.o d1mach.o ditsum.o dr7mdc.o  dv7cpy.o    i7mdcn.o divset.o
> drldst.o  dv7dfl.o  dl7itv.o drmng.o   dv7scp.o stopx.o dl7ivm.o dv7vmp.o
> dl7tvm.o drmngwien.o dw7zbf.o da7sst.o dl7upd.o func2.o  dd7dog.o dl7vml.o
> dv2axy.o    traptouch.o dd7tpr.o dparck.o  dv2nrm.o  constr.o -L../SRC_lib
> -llapack_lapw -lblas
> constr.o(.text+0x60b): In function `constrained_forces_':
> : undefined reference to `dgeqrf_'
> make: *** [mini] Error 2
>
>
> can someone help me to overcome this pb
>
> best regads
>
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-- 
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
www.numis.northwestern.edu
EMM2007 http://ns.crys.ras.ru/EMMM07/