[Wien] lapw1c ERROR on Opteron

[Peter Blaha]

When using -llapack_lapw -lblas_lapw, be sure that those libraries have
been created freshly on your OPTERON. (They are made only the first time
you call siteconfig, but when siteconfig is interrupted, they might not be
created properly. So I suggest:

cd $WIENROOT/SRC_lib
cd lapack_lapw
make clean    (eventually   rm ../liblapack_lapw.a ?)
make
cd ../blas_lapw
make clean
make

and than link lapw1 again.


Another tipp for the lapw2 problem:

> - I didn't manage to compile lapw2. Below you will find a part of the error
> message:
>
> " pgf90  -o ./lapw2c cputim.o reallocate.o modules.o abc.o  atpar.o c3fft.o
> charge.o csplit.o dfrad.o d5splt.o dergl.o deter.o diracout.o dvbes1.o
> errclr.o errflg.o essl.o f7splt.o fermi.o fermi5.o fomai1.o fomai2.o
> fomai3.o fourir.o fsumai1.o gaunt.o getfft.o gtfnam.o harmon.o ifflim.o
> inouh.o inth.o kdelta.o l2main.o lapw2.o latgen.o lomain.o mag.o mknam.o
> notri.o open_helpfile.o outerr.o outp.o outwin.o p3splt.o ph.o psplit.o
> read_vec.o recfil.o recpr.o rint13.o rotate.o rotdef.o setfft1.o setfft2.o
> sphbes.o spline.o stern.o sumupfft.o t3j.o t3j0.o vdrho.o xsplt.o
> ylm.o  -L../SRC_lib -llapack_lapw -lblas_lapw
> /usr/bin/ld: Warning: alignment 16 of symbol `lo_0_' in modules.o is
> smaller than 32 in abc.o

Most likely only a warning. Read the compiler manual, the compiler should
be able to fix these alignment problems.

> ../SRC_lib/libblas_lapw.a(blas_lapw1.o)(.text+0x7cc): In function `dgemm_':
> : undefined reference to `lsame_'


lsame is present in lapack_lapw1.f, thus it is present in -llapack_lapw
Your linker requires to specify this library twice:

-L../SRC_lib -llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw

Regards

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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