Did you do the killing and restart of w2web ???
Am 29.04.2019 um 14:24 schrieb Indranil mal:
By using the command line "xcrysden --wien_struct case.struct" I can see
the structures and the view structure button is also showing in w2web.
But When click on the view structure button "Requires X-Windows system
... " message is coming.
Thanking you
Indranil
On Fri, Apr 26, 2019 at 11:02 AM Peter Blaha
<pbl...@theochem.tuwien.ac.at <mailto:pbl...@theochem.tuwien.ac.at>> wrote:
change into a directory where you have a case.struct file.
Can you open it using:
xcrysden --wien_struct case.struct
If yes, then xcrysden is properly installed. If you do not see the
view
structure button in w2web, you have to kill w2web and restart it again:
ps -ef|grep w2web # this gives you the "PID" of w2web, a number on
the left side
kill PID #
and repeat the ps command until you do not find w2web anymore. Then
start w2web again by typing:
w2web
Regards
Am 26.04.2019 um 06:00 schrieb Indranil mal:
> I have followed your suggestion and it is working except the
xcrysden is
> not linked, can not view structures.
>
> dps@dps-lab:~$ whereis xcrysden
> xcrysden: /usr/bin/xcrysden /usr/lib/xcrysden /usr/share/xcrysden
> /home/dps/WIEN2K/xcrysden /usr/share/man/man1/xcrysden.1.gz
>
> XCRYSDEN_TOPDIR=/usr/share/xcrysden
> XCRYSDEN_SCRATCH=/home/dps/xcrys_tmp
>
> unable to edit the top directory. However I have installed
xcrysden from
> UBUNTU software library.
>
>
> Thanking you
>
> Indranil
>
>
> On Tue, Apr 23, 2019 at 6:41 PM Peter Blaha
> <pbl...@theochem.tuwien.ac.at
<mailto:pbl...@theochem.tuwien.ac.at>
<mailto:pbl...@theochem.tuwien.ac.at
<mailto:pbl...@theochem.tuwien.ac.at>>> wrote:
>
> I suggest that you first do only the sequential installation.
>
> For this (and for your hardware) you don't need mpi,
scalapack or elpa.
>
> Change into SRC_lapw0 and inspect the compile.msg file in
more detail.
> You may see more informative messages then what you posted.
>
> You can also recompile again simply by typing "make" in
SRC_lapw0.
>
> PS: If this was the only error in siteconfig after
compilation of all
> programs, it might be your libxc installation. (remove
-DLIBXC, and the
> corresponding includes and libraries in the Makefile of
SRC_lapw0.
>
> On 4/23/19 10:00 AM, Indranil mal wrote:
> > I am using a PC with intel i7 32GB RAM and 2TB HDD with
UBUNTU 18.04
> > LTS. I have installed OpenBLAS-0.2.20 and using GNU
FORTRAN and c
> > compiler and my settings for compiler/Linker , Libraries
are as
> followed
> >
> > Current settings:
> > O Compiler options: -ffree-form -O2
> -ffree-line-length-none
> > L Linker Flags: $(FOPT)
> > P Preprocessor flags '-DParallel'
> > R R_LIBS (LAPACK+BLAS): -llapack -lblas -lpthread
> > X LIBX options: -DLIBXC -I/opt/etsf/include
> > LIBXC-LIBS: -L/opt/etsf/lib/ -lxcf03 -lxc
> >
> > I have installed FFTW3 and mpi but could not install ELPA
getting
> the
> > error " No usable BLACS found. If installed in a
non-standard place,
> > please specify suitable LDFLAGS and FCFLAGS as arguments to
> configure".
> > And that is why I did not configure the parallel computing.
> >
> > When I am trying to compile the getting the following
error and
> attached
> > the compile.msg file. Please help me to install WIEN2K in
my system.
> >
> > done.
> >
> > Compile time errors (if any) were:
> > SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit
status
> > SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
> > SRC_lapw0/compile.msg:make: *** [seq] Error 2
> >
> > Thanking you
> >
> > Indranil
> >
> >
> > _______________________________________________
> > Wien mailing list
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> <mailto:Wien@zeus.theochem.tuwien.ac.at
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> >
>
> --
>
> P.Blaha
>
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> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060
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> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
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--
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at
<mailto:bl...@theochem.tuwien.ac.at> WIEN2k: http://www.wien2k.at
WWW:
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SEARCH the MAILING-LIST at:
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Inst.Materials Chemistry
TU Vienna
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A-1060 Vienna
Austria
+43-1-5880115671
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