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 <[email protected]> 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@computername:~$ ls /home/username/fftw3/lib > cmake libfftw3.a libfftw3.la libfftw3_mpi.a libfftw3_mpi.la pkgconfig > > Then, adjust your settings accordingly: > > username@computername:~$ cd $WIENROOT > username@computername:~/WIEN2k$ ./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/[email protected]/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/[email protected]/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 > > > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/[email protected]/index.html > -- Riyajul Islam Research Scholar National Institute of Technology Nagaland Chumukedima, Dimapur Nagaland 797103, India
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
