[Wien] Fwd: Installation issue
Indranil mal
indranil.mal at gmail.com
Tue Apr 30 07:11:13 CEST 2019
yes sir. still the problem is there. No issue sir I can manually see the
structures.
Thanking you
Indranil
On Mon, Apr 29, 2019 at 8:37 PM Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:
> 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
> > <pblaha at theochem.tuwien.ac.at <mailto:pblaha at 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 at 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
> > > <pblaha at theochem.tuwien.ac.at
> > <mailto:pblaha at theochem.tuwien.ac.at>
> > <mailto:pblaha at theochem.tuwien.ac.at
> > <mailto:pblaha at 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
> > > >
> > > >
> > > > _______________________________________________
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> > >
> > > --
> > >
> > > P.Blaha
> > >
> >
> --------------------------------------------------------------------------
> > > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060
> > Vienna
> > > Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> > > Email: blaha at theochem.tuwien.ac.at
> > <mailto:blaha at theochem.tuwien.ac.at>
> > > <mailto:blaha at theochem.tuwien.ac.at
> > <mailto:blaha at theochem.tuwien.ac.at>> WIEN2k:
> http://www.wien2k.at
> > > WWW: http://www.imc.tuwien.ac.at/TC_Blaha
> > >
> >
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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: blaha at theochem.tuwien.ac.at
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> >
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> >
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>
> --
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
> _______________________________________________
> Wien mailing list
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