[Wien] Fwd: Installation issue

[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>
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    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
> --------------------------------------------------------------------------
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