[Wien] VERSION_05.3: problems with installation of mini

[Rossitza.Pentcheva at lrz.uni-muenchen.de]

Hello Laurence,
thanks for the hint and the new mdble.c - this time it worked out!
> I don't know if it is the version that you have, or perhaps an
> inconsistent version on the web page. The routines sortag & drmngwien
> should be in the Makefile.
I have downloaded the version from the wien2k Homepage one week ago- so it
is the official one on the web page.
Thanks also to Andrea.
Best,
Rossitza
>
> The routine mdble.c just defines some machine constants. It looks like
> your fortran compiler has converted everything to upper case and/or is
> being case sensitive, so the C to Fortran communication has got messed up.
> A brief google (http://www.hpcf.cam.ac.uk/history/turing.html)
> suggests that this may be a general thing with Hitachi compilers. I've
> attached a version where I've added upper case versions of the routines
> (since C is case sensitive). Copy your previous version somewhere
> safe then please let me know if it works. If it does not, you may have to
> try some of the things mentioned in the link above or google "Hitachi
> Fortran C". There may well be other C routines where something similar
> will need to be done.
>
> On Tue, 3 May 2005 Rossitza.Pentcheva at lrz.uni-muenchen.de wrote:
>
>> Dear WIEN-developers,
>>
>> I am installing the latest WIEN Version on a Hitachi SR8000 Machine and
>> have encountered the following problems:
>> 1) the subroutine sortag.f is needed both for dstart and lapw2 but OBJS
>> (or ORBJS1) in the correspoding Makefiles does not contain sortag.o.
>> When icluded in the Makefile, everything is fine.
>> 2) the Makefile for mini does not contain drmngwien.o which is called in
>> haupt.f.
>> OBJS1 =	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
>> #	inter.o   read3.o   integr.o  stern.o   rean3.o \
>> #        rean0.o   setffx.o  charge.o  iffpar.o  normal.o choice.o \
>> #	 lsqfit.o  mixin.o
>> Including it in OBJS1 makes the inclusion of a further set of subroutnes
>> necessary (actually a previous Version did contain them). Still, the
>> following error message occurs (possibly system specific) during
>> linking:
>> f90 -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 d
>> itsum.o dr7mdc.o  dv7cpy.o    i7mdcn.o  divset.o drldst.o  dv7dfl.o
>> dl7itv.o dr
>> mng.o   dv7scp.o stopx.o   dl7ivm.o dv7vmp.o dl7tvm.o drmngwien.o
>> dw7zbf.o
>> da7ss
>> t.o dl7upd.o  func2.o  dd7dog.o dl7vml.o  dv2axy.o    traptouch.o
>> dd7tpr.o dpar
>> ck.o  dv2nrm.o     -L../SRC_lib
>> ld: 1012 error : Undefined symbol: .MDBLE
>> *** Error code 255
>>
>> Stop.
>> I would appreciate any help on that.
>> Best regards,
>> Rossitza Pentcheva
>>
>>
>> _______________________________________________
>> 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 60201, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L - marks @ northwestern . edu
> http://www.numis.northwestern.edu
> -----------------------------------------------
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