[xcrysden] Error when rendering the fermi surface

[lung Fermin]

Thanks Dr Kroeker for the information. I downloaded the source code and
compile the files in /F/ directory by running make.

The following is the screen output:
cd SRC_spaghetti; make
make[1]: Entering directory
`/media/sf_vmshared/XCrySDen-1.5.24-src-all/F/SRC_spaghetti'
make[1]: Nothing to be done for `default'.
make[1]: Leaving directory
`/media/sf_vmshared/XCrySDen-1.5.24-src-all/F/SRC_spaghetti'
gfortran -O2 -o gengeom gengeom.o multhexa.o multatom.o box.o ttcplane.o
readf1.o auxil.o wigner.o wigner12d.o convexhull.o p2c.o
gfortran -O2 -o calplane calplane.o
gfortran -O2 -o atomlab atomlab.o readXYZ.o readf1.o auxil.o
gfortran -O2 -o recvec recvec.o auxil.o
gfortran -O2 -o str2xcr str2xcr.o auxil.o
gfortran -O2 -o fracCoor fracCoor.o auxil.o  readf1.o
gfortran -O2 -o multislab multislab.o readf1.o auxil.o writeftn34.o
gfortran -O2 -o ftnunit ftnunit.o
gfortran -O2 -o savestruct savestruct.o readf1.o auxil.o
gfortran -O2 -o kPath kPath.o getintcoor.o auxil.o readf1.o
gfortran -O2 -o pwKPath pwKPath.o auxil.o readf1.o
gfortran -O2 -o fhi_inpini2ftn34 fhi_inpini2ftn34.o
gfortran -O2 -o fhi_coord2xcr fhi_coord2xcr.o
gfortran -O2 -o wn_readbands wn_readbands.o  SRC_spaghetti/get_k.o
SRC_spaghetti/get_ei.o
gfortran -O2 -o wn_readbakgen wn_readbakgen.o
gfortran -O2 -o pwi2xsf_old pwi2xsf_old.o pwError.o pwLatgen.o
gfortran -O2 -o pwi2xsf pwi2xsf.o pwError.o pwLatgen.o
gfortran -O2 -o fsReadBXSF fsReadBXSF.o auxil.o wigner.o convexhull.o
gfortran -O2 -o cube2xsf cube2xsf.o
for prog in gengeom calplane atomlab recvec str2xcr fracCoor multislab
savestruct ftnunit kPath pwKPath fhi_inpini2ftn34 fhi_coord2xcr
wn_readbands wn_readbakgen pwi2xsf pwi2xsf_old fsReadBXSF cube2xsf; do \
if test -x $prog.exe ; then mv $prog.exe ../bin ; \
elif test -x $prog ; then mv $prog ../bin ; fi; \
done

The stdout didn't give any warning or error messages but I am doubt that
the codes have been compiled properly.. The  wn_readbakgen.o file has a
size much smaller than the old one..., and after I copied it into
/XCrySDen-1.5.25-bin-semishared/bin and try again, the error was still
there.

I am using the 1.5.25 semishared version on the cluster. I downloaded the
source code ver 1.5.24 with libraries included and do compilation on a
ubuntu system in virtualbox with gfortran. Please find in attached for the
Make.sys file. Would you please give me some suggestions.. Thanks.

Fermin

2015-09-18 18:31 GMT+08:00 Martin Kroeker <
martin at ruby.chemie.uni-freiburg.de>:

> > I am using the semishared distribution of Xcrysden. Are there any ways to
> > increase the band number parameter in this distribution? The cluster
> that I
> As it is a fixed size limit in the wn_readbakgen executable, you will
> have to recompile that - but you could do this on some generic linux box
> (or ask someone to do it for you) and just copy the new wn_readbakgen
> onto your cluster
>
> --
> Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
> c/o Prof.Dr. Caroline Roehr
> Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
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