[Wien] Fwd: Installation issue

[Peter Blaha]

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>> 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
>      > Wien at zeus.theochem.tuwien.ac.at
>     <mailto:Wien at zeus.theochem.tuwien.ac.at>
>      > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>      > SEARCH the MAILING-LIST at:
>     http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>      >
> 
>     -- 
> 
>                                             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>    WIEN2k: http://www.wien2k.at
>     WWW: http://www.imc.tuwien.ac.at/TC_Blaha
>     --------------------------------------------------------------------------
>     _______________________________________________
>     Wien mailing list
>     Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at zeus.theochem.tuwien.ac.at>
>     http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>     SEARCH the MAILING-LIST at:
>     http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 

-- 
--------------------------------------------------------------------------
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    WIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------