[Wien] FFTW compiling

[Riyajul Islam]

Thank you for your response. I'm running TiC test and after 2 SCF cycles I
get an error in lapw1
 Cholesky INFO =          183
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.
I have searched through previous mailing list but I didn't quite get the
solution of this problem. There was no warnings during initialization also
so structure file seem fine. Is there any parameter I have to change to
solve this?

Kind regards,
Riyajul Islam

On Wed, 3 Jul 2019 at 19:09, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> The problem might be with the FFTW-LIBS.  In the steps at [1], it looks
> like it set to "lib", but it is set to "lib64" in your case.
>
> Check if libfftw3_mpi.a exists in lib or lib64.
>
> For example, if the file exists in lib:
>
> username at computername:~$ ls /home/username/fftw3/lib
> cmake  libfftw3.a  libfftw3.la  libfftw3_mpi.a  libfftw3_mpi.la  pkgconfig
>
> Then, adjust your settings accordingly:
>
> username at computername:~$ cd $WIENROOT
> username at computername:~/WIEN2k$ ./siteconfig
> ...
>   Selection: O
> ...
>   F   FFTW options:            -DFFTW3 -I/home/username/fftw3/include
>       FFTW-LIBS:               -L/home/username/fftw3/lib64 -lfftw3
>       FFTW-PLIBS:              NOT FOUND!
> ...
> Selection: F
> ...
> Selection:L
> Enter the target achitecture of your FFTW library (e.g. lib64)!: lib
> ...
>    FFTW_OPT:             -DFFTW3 -I/home/username/fftw3/include
>    FFTW_LIBS:            -L/home/username/fftw3/lib -lfftw3
>    FFTW-PLIBS:           -lfftw3_mpi
> ...
>
> [1]
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html
> On 7/3/2019 3:27 AM, Riyajul Islam wrote:
>
> Hellow wien2k users,
> I am facing a problem in compiling FFTW in sitecofiguration. I have
> followed all the steps as in "
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html".
> But could nopt acces the "/home/username/fftw3/mpi/.libs/libfftw3_mpi.a" as
> in in mailing list.
> the current settings for FFTW is
> F   FFTW options:            -DFFTW3 -I/home/edison1/fftw3/include
>       FFTW-LIBS:               -L/home/edison1/fftw3/lib64 -lfftw3
>       FFTW-PLIBS:              NOT FOUND!
>
> How can I solve this issue?
>
> Regards,
> Riyajul Islam
>
>
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-- 
Riyajul Islam
Research Scholar
National Institute of Technology Nagaland
Chumukedima, Dimapur
Nagaland 797103, India
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