<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body>
<p>If you are using gfortran and gcc and it helps, some of the
keystrokes I captured are shown below from when I installed WIEN2k
21.1. These are just steps I follow as a guide for getting
started and for a configuration that gets WIEN2k on my system up
and running quickly. After that, I usually have to go back into
./siteconfig and further adjust the settings to make calculations
complete faster by finding better settings to use for my system in
the documentation for the compilers. For example, the gfortran
documentation is at [1]. Other compilers, like the Intel Fortran
compiler [2], should have their own documentation.<br>
</p>
<p>The mpi parallel settings configured below don't always work
depending on the configuration that I need on my computer
systems. When that happens, the WIEN2k usersguide [3] and FAQ
questions page [4] help with choosing the correct siteconfig
settings. Or past posts on parallel calculations in the mailing
list archive contained a solution to the issues I encountered.<br>
</p>
<p>I haven't tried the SRC_mpiutil on the unsupported page [5] with
WIEN2k 21.1 but I think that was helpful when I looked at that
when using a past WIEN2k version.</p>
<p>For the below, I used Open MPI [6], but you could use another mpi
implementation [7].<br>
</p>
[1] <a class="moz-txt-link-freetext" href="https://gcc.gnu.org/wiki/GFortran">https://gcc.gnu.org/wiki/GFortran</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://software.intel.com/content/www/us/en/develop/documentation/fortran-compiler-oneapi-dev-guide-and-reference/top.html">https://software.intel.com/content/www/us/en/develop/documentation/fortran-compiler-oneapi-dev-guide-and-reference/top.html</a><br>
[3] <a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a><br>
[4] <a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/faq/pbs.html">http://www.wien2k.at/reg_user/faq/pbs.html</a><br>
[5] <a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/unsupported/">http://www.wien2k.at/reg_user/unsupported/</a><br>
[6] <a class="moz-txt-link-freetext" href="https://www.open-mpi.org/">https://www.open-mpi.org/</a><br>
[7] <a class="moz-txt-link-freetext" href="https://en.wikipedia.org/wiki/MPICH">https://en.wikipedia.org/wiki/MPICH</a><br>
<p><b>Installed Ubuntu LTS</b><br>
</p>
<a class="moz-txt-link-freetext" href="https://help.ubuntu.com/community/Installation">https://help.ubuntu.com/community/Installation</a><br>
<a class="moz-txt-link-freetext" href="https://ubuntu.com/#download">https://ubuntu.com/#download</a><br>
<p>username@computername:~$ lsb_release -a<br>
No LSB modules are available.<br>
Distributor ID: Ubuntu<br>
Description: Ubuntu 20.04.2 LTS<br>
Release: 20.04<br>
Codename: focal</p>
<p><b>Installed XCrySDen</b></p>
username@computername:~$ cd ~<br>
username@computername:~$ sudo apt update<br>
username@computername:~$ sudo apt install tcsh ghostscript octave
gnuplot gnuplot-x11 make autoconf libtool perl libquadmath0 gfortran
build-essential libglu1-mesa-dev libtogl-dev tcl-dev tk-dev
libfftw3-dev libxmu-dev <br>
username@computername:~$ wget
<a class="moz-txt-link-freetext" href="http://www.xcrysden.org/download/xcrysden-1.6.2.tar.gz">http://www.xcrysden.org/download/xcrysden-1.6.2.tar.gz</a><br>
username@computername:~$ tar xvf xcrysden-1.6.2.tar.gz<br>
username@computername:~$ cd xcrysden-1.6.2<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/xcrysden-1.6.2$">username@computername:~/xcrysden-1.6.2$</a> cp ./system/Make.sys-shared
Make.sys<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/xcrysden-1.6.2$">username@computername:~/xcrysden-1.6.2$</a> make all<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/xcrysden-1.6.2$">username@computername:~/xcrysden-1.6.2$</a> echo 'export
XCRYSDEN_TOPDIR=/home/username/xcrysden-1.6.2'>>~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/xcrysden-1.6.2$">username@computername:~/xcrysden-1.6.2$</a> echo 'export
PATH=$PATH:$XCRYSDEN_TOPDIR'>>~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/xcrysden-1.6.2$">username@computername:~/xcrysden-1.6.2$</a> source ~/.bashrc<br>
<p><b>Installed libxc</b><br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/xcrysden-1.6.2$">username@computername:~/xcrysden-1.6.2$</a> cd ~<br>
username@computername:~$ wget
<a class="moz-txt-link-freetext" href="http://www.tddft.org/programs/libxc/down.php?file=5.1.4/libxc-5.1.4.tar.gz">http://www.tddft.org/programs/libxc/down.php?file=5.1.4/libxc-5.1.4.tar.gz</a><br>
username@computername:~$ tar xvf
down.php\?file\=5.1.4%2Flibxc-5.1.4.tar.gz <br>
username@computername:~$ cd libxc-5.1.4/<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-5.1.4$">username@computername:~/libxc-5.1.4$</a> autoreconf -i --force<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-5.1.4$">username@computername:~/libxc-5.1.4$</a> ./configure FC=gfortran
CC=gcc --prefix=$HOME/libxc-5.1.4<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-5.1.4$">username@computername:~/libxc-5.1.4$</a> make<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-5.1.4$">username@computername:~/libxc-5.1.4$</a> make check<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-5.1.4$">username@computername:~/libxc-5.1.4$</a> make install<br>
</p>
<p><b>Installed OpenBLAS</b><br>
<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/libxc-5.1.4$">username@computername:~/libxc-5.1.4$</a> cd ~<br>
username@computername:~$ wget
<a class="moz-txt-link-freetext" href="https://github.com/xianyi/OpenBLAS/releases/download/v0.3.15/OpenBLAS-0.3.15.tar.gz">https://github.com/xianyi/OpenBLAS/releases/download/v0.3.15/OpenBLAS-0.3.15.tar.gz</a><br>
username@computername:~$ tar zxvf OpenBLAS-0.3.15.tar.gz <br>
username@computername:~$ cd OpenBLAS-0.3.15/<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/OpenBLAS-0.3.15$">username@computername:~/OpenBLAS-0.3.15$</a> make FC=gfortran CC=gcc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/OpenBLAS-0.3.15$">username@computername:~/OpenBLAS-0.3.15$</a> echo 'export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/OpenBLAS-0.3.15'>>~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/OpenBLAS-0.3.15$">username@computername:~/OpenBLAS-0.3.15$</a> source ~/.bashrc<br>
</p>
<p><b>Installed Open MPI</b></p>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/OpenBLAS-0.3.15$">username@computername:~/OpenBLAS-0.3.15$</a> cd ~<br>
username@computername:~$ wget
<a class="moz-txt-link-freetext" href="https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.1.tar.gz">https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.1.tar.gz</a><br>
username@computername:~$ tar xvf openmpi-4.1.1.tar.gz <br>
username@computername:~$ cd openmpi-4.1.1/<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/openmpi-4.1.1$">username@computername:~/openmpi-4.1.1$</a> ./configure
--prefix=$HOME/openmpi-4.1.1<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/openmpi-4.1.1$">username@computername:~/openmpi-4.1.1$</a> make all install<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/openmpi-4.1.1$">username@computername:~/openmpi-4.1.1$</a> echo 'export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/openmpi-4.1.1/lib'>>~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/openmpi-4.1.1$">username@computername:~/openmpi-4.1.1$</a> echo 'export
PATH=$PATH:/home/username/openmpi-4.1.1/bin'>>~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/openmpi-4.1.1$">username@computername:~/openmpi-4.1.1$</a> source ~/.bashrc
<p><b>Installed fftw</b></p>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/openmpi-4.1.1$">username@computername:~/openmpi-4.1.1$</a> cd ~<br>
username@computername:~$ wget <a class="moz-txt-link-freetext" href="http://www.fftw.org/fftw-3.3.9.tar.gz">http://www.fftw.org/fftw-3.3.9.tar.gz</a><br>
username@computername:~$ tar xvf fftw-3.3.9.tar.gz<br>
username@computername:~$ cd fftw-3.3.9/<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.9$">username@computername:~/fftw-3.3.9$</a> ./configure FCC=gfortran CC=gcc
MPICC=mpicc --enable-mpi --prefix=$HOME/fftw-3.3.9<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.9$">username@computername:~/fftw-3.3.9$</a> make<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.9$">username@computername:~/fftw-3.3.9$</a> make install<br>
<p><b>Installed ScaLAPACK</b><br>
</p>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.9$">username@computername:~/fftw-3.3.9$</a> cd ~<br>
username@computername:~$ wget
<a class="moz-txt-link-freetext" href="http://www.netlib.org/scalapack/scalapack-2.1.0.tgz">http://www.netlib.org/scalapack/scalapack-2.1.0.tgz</a><br>
username@computername:~$ tar xvf scalapack-2.1.0.tgz <br>
username@computername:~$ cd scalapack-2.1.0/<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> cp SLmake.inc.example
SLmake.inc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> gedit SLmake.inc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> cat SLmake.inc<br>
############################################################################<br>
#<br>
# Program: ScaLAPACK<br>
#<br>
# Module: SLmake.inc<br>
#<br>
# Purpose: Top-level Definitions<br>
#<br>
# Creation date: February 15, 2000<br>
#<br>
# Modified: October 13, 2011<br>
#<br>
# Send bug reports, comments or suggestions to <a class="moz-txt-link-abbreviated" href="mailto:scalapack@cs.utk.edu">scalapack@cs.utk.edu</a><br>
#<br>
############################################################################<br>
#<br>
# C preprocessor definitions: set CDEFS to one of the following:<br>
#<br>
# -DNoChange (fortran subprogram names are lower case without
any suffix)<br>
# -DUpCase (fortran subprogram names are upper case without
any suffix)<br>
# -DAdd_ (fortran subprogram names are lower case with "_"
appended)<br>
<br>
CDEFS = -DAdd_<br>
<br>
#<br>
# The fortran and C compilers, loaders, and their flags<br>
#<br>
<br>
FC = mpifort<br>
CC = mpicc <br>
NOOPT = -O0<br>
FCFLAGS = -O3<br>
CCFLAGS = -O3<br>
FCLOADER = $(FC)<br>
CCLOADER = $(CC)<br>
FCLOADFLAGS = $(FCFLAGS)<br>
CCLOADFLAGS = $(CCFLAGS)<br>
<br>
#<br>
# The archiver and the flag(s) to use when building archive
(library)<br>
# Also the ranlib routine. If your system has no ranlib, set
RANLIB = echo<br>
#<br>
<br>
ARCH = ar<br>
ARCHFLAGS = cr<br>
RANLIB = ranlib<br>
<br>
#<br>
# The name of the ScaLAPACK library to be created<br>
#<br>
<br>
SCALAPACKLIB = libscalapack.a<br>
<br>
#<br>
# BLAS, LAPACK (and possibly other) libraries needed for linking
test programs<br>
#<br>
<br>
BLASLIB = -L/home/username/OpenBLAS-0.3.15 -lopenblas<br>
LAPACKLIB = <br>
LIBS = $(LAPACKLIB) $(BLASLIB)<br>
<p><br>
</p>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> make<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> echo 'export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/scalapack-2.1.0'>>~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> source ~/.bashrc<br>
<p><b>Installed WIEN2k</b><br>
</p>
<p>Went to:<br>
</p>
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/index.html">http://www.wien2k.at/reg_user/index.html</a><br>
<br>
Clicked "Code download (after registration)"<br>
<br>
Downloaded "WIEN2k_21.1.tar"<br>
<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/scalapack-2.1.0$">username@computername:~/scalapack-2.1.0$</a> cd ~<br>
username@computername:~$ mkdir WIEN2k<br>
username@computername:~$ cd WIEN2k/<br>
username@computername:~/WIEN2k$ ls<br>
WIEN2k_21.1.tar<br>
username@computername:~/WIEN2k$ tar xvf WIEN2k_21.1.tar<br>
username@computername:~/WIEN2k$ gunzip *.gz<br>
username@computername:~/WIEN2k$ chmod +x ./expand_lapw <br>
username@computername:~/WIEN2k$ export LC_NUMERIC=en_US.UTF-8<br>
username@computername:~/WIEN2k$ ./expand_lapw<br>
continue (y/n) <br>
y<br>
username@computername:~/WIEN2k$ ./siteconfig<br>
continue or stop (c/s) c<br>
Selection: LG<br>
Your compiler: gfortran <br>
Your compiler: gcc<br>
Would you like to use LIBXC (usually not needed, ONLY for experts
who want to play with different DFT options. It must have been
installed before)? (y,N): <br>
y<br>
Do you want to automatically search for LIBXC installations? (Y,n):<br>
Y<br>
Please specify a comma separated list of directories to search! (If
no list is entered, /usr/lib64, /usr/local and /opt will be searched
as default):<br>
/home/username/libxc-5.1.4<br>
Pick one of the following (enter the number of the line of your
choice or 0 to manually specify a path)!:<br>
/home/username/libxc-5.1.4/src/.libs/libxc.a<br>
/home/username/libxc-5.1.4/lib/libxc.a<br>
2<br>
Do you want to automatically search for FFTW installations? (Y,n):<br>
Y<br>
Please specify a comma separated list of directories to search! (If
no list is entered, <br>
/usr/lib64, /usr/local and /opt will be searched as default):<br>
/home/username/fftw-3.3.9<br>
Finding the required fftw3 library-files in
/home/username/fftw-3.3.9 ....<br>
<br>
/home/username/fftw-3.3.9/.libs/libfftw3.a<br>
/home/username/fftw-3.3.9/lib/libfftw3.a<br>
<br>
Do you want to use a FFTW version from the list above? (Y,n): <br>
Y<br>
Please enter the line number of the chosen version or enter 0 to
manually specify your choice!:<br>
2<br>
Please specify the target achitecture of your FFTW library (e.g.
lib64) or accept present choice (enter): lib<br>
Please specify the name of your FFTW library or accept present
choice (enter): fftw3<br>
Is this correct? (Y,n): Y<br>
Selection: R<br>
Real libraries=-L/home/username/OpenBLAS-0.3.15 -lopenblas
-lpthread<br>
Selection: X<br>
Selection:F<br>
Enter the name of your LIBXC fortran interface!: xcf03<br>
Selection:B<br>
<br>
Current settings:<br>
M OpenMP switch: -fopenmp<br>
O Compiler options: -ffree-form -O2 -ftree-vectorize
-march=native -ffree-line-length-none -ffpe-summary=none<br>
L Linker Flags: $(FOPT) -L../SRC_lib<br>
P Preprocessor flags '-DParallel'<br>
R R_LIBS (LAPACK+BLAS): -L/home/username/OpenBLAS-0.3.15
-lopenblas -lpthread<br>
F FFTW options: -DFFTW3
-I/home/username/fftw-3.3.9/include<br>
FFTW-LIBS: -L/home/username/fftw-3.3.9/lib
-lfftw3<br>
X LIBX options: -DLIBXC
-I/home/username/libxc-5.1.4/include<br>
LIBXC-LIBS: -L/home/username/libxc-5.1.4/lib
-lxcf03 -lxc<br>
<br>
Selection: S <br>
Shared Memory Architecture? (y/N):y<br>
Do you know/need a command to bind your jobs to specific nodes?<br>
(like taskset -c). Enter N / your_specific_command: N<br>
Do you have MPI, ScaLAPACK, ELPA, or MPI-parallel FFTW installed
and intend <br>
to run finegrained parallel? <br>
(y/N) y<br>
Your compiler: mpifort<br>
Do you want to use a present ScaLAPACK installation? (Y,n): Y<br>
Please specify the target architecture of your ScaLAPACK libraries
(e.g. intel64)!:<br>
Please specify the root path of your ScaLAPACK installation!:<br>
ScaLAPACK root: /home/username/scalapack-2.1.0<br>
Please specify the name of your ScaLAPACK library!: <br>
ScaLAPACK library: scalapack<br>
Please specify the root path of your BLACS installation!: <br>
BLACS root: <br>
Please specify the name of your BLACS library!: <br>
BLACS library: <br>
Is this correct? (Y,n): Y<br>
Do you want to use ELPA? (y,N):<br>
N<br>
Please enter your choice of additional libraries!:<br>
$(R_LIBS) -lmpi<br>
Is this correct? (Y,n): Y<br>
Please specify your parallel compiler options or accept the
recommendations (Enter - default)!: <br>
-ffree-form -O2 -ftree-vectorize -march=native
-ffree-line-length-none -ffpe-summary=none<br>
<br>
Please specify your MPIRUN command or accept the recommendations
(Enter - default)!: <br>
<br>
Please specify your parallel OMP_SWITCH (type "del" to blank it)<br>
or accept the recommendations (Enter - default)!: <br>
<br>
Please specify your MPIRUN command or accept the recommendations
(Enter - default)!:<br>
<br>
Current settings:<br>
<br>
Parallel compiler : mpifort<br>
SCALAPACK_LIBS : -L/home/username/scalapack-2.1.0/
-lscalapack<br>
FFTW_PLIBS : -lfftw3_mpi<br>
ELPA_OPT : <br>
ELPA_LIBS : <br>
FPOPT(par.comp.options): -ffree-form -O2 -ftree-vectorize
-march=native -ffree-line-length-none -ffpe-summary=none<br>
OMP_SWITCH : -fopenmp<br>
MPIRUN command : mpirun -np _NP_ -machinefile
_HOSTS_ _EXEC_<br>
<br>
parallel execution:<br>
<br>
RP_LIBS : $(R_LIBS) -lmpi<br>
<br>
Selection: S<br>
Selection: Q<br>
Selection: A<br>
<br>
Please enter the full path of the perl program: /usr/bin/perl<br>
<p> Please enter the full path to your temporary directory: /tmp</p>
username@computername:~/WIEN2k$ ./userconfig_lapw <br>
<br>
Specify your prefered editor (default is emacs):<br>
editor shall be: gedit<br>
<br>
<br>
Set editor to gedit (Y/n) Y<br>
<br>
Specify your prefered DATA directory, where your cases should
be <br>
stored (for /home/username/WIEN2k, just enter RETURN key):<br>
DATA directory: /home/username/wiendata<br>
<br>
Set DATA directory to /home/username/wiendata (Y/n) Y<br>
<br>
Specify your prefered scratch directory, where big case.vector
files<br>
can be stored (Recommended is a local directory (maybe
/scratch), not a<br>
NFS directory. For your working directory, just enter RETURN
key):<br>
scratch directory:<br>
<br>
Set scratch directory to working directory (Y/n) Y<br>
<br>
Specify your program to read pdf files (default is okular) <br>
(on some Linux systems use xpdf, evince, pdfstudio, ...):evince<br>
<br>
Set PDFREADER to evince (Y/n) Y<br>
<br>
WIEN2k can use OpenMP parallelization on multicore computers.<br>
For details please read the "Parallelization section" of the
Usersguide.<br>
Your present computer has 4 cores, but more than 4 (8) cores is
useless.<br>
How many cores do you want to use by default (4):1<br>
<br>
Set OMP_NUM_THREADS to 1 (Y/n) Y<br>
<br>
<br>
!!! The following lines will be added to your .bashrc file if you
continue !!!<br>
A copy of your current .bashrc will be saved under
.bashrc.savelapw !<br>
<br>
# added by WIEN2k: BEGIN<br>
# --------------------------------------------------------<br>
alias lsi="ls -aslp *.in*"<br>
alias lso="ls -aslp *.output*"<br>
alias lsd="ls -aslp *.def"<br>
alias lsc="ls -aslp *.clm*"<br>
alias lss="ls -aslp *.scf* */*scf"<br>
alias lse="ls -aslp *.error"<br>
alias LS="ls -alsp |grep /"<br>
alias pslapw="ps -ef |grep "lapw""<br>
alias cdw="cd /home/username/wiendata"<br>
if [ "$OMP_NUM_THREADS" = "" ]; then export OMP_NUM_THREADS=1; fi<br>
#export LD_LIBRARY_PATH=.....<br>
export EDITOR="gedit"<br>
export SCRATCH=./<br>
if [ "$WIENROOT" = "" ]; then export WIENROOT=/home/username/WIEN2k;
fi<br>
export W2WEB_CASE_BASEDIR=/home/username/wiendata<br>
export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin<br>
export PDFREADER=evince<br>
export
PATH=$WIENROOT:$STRUCTEDIT_PATH:$WIENROOT/SRC_IRelast/script-elastic:$PATH:.<br>
export OCTAVE_EXEC_PATH=${PATH}::<br>
export OCTAVE_PATH=${STRUCTEDIT_PATH}::<br>
<br>
ulimit -s unlimited<br>
alias octave="octave -p $OCTAVE_PATH"<br>
# --------------------------------------------------------<br>
Do you want to continue (Y/n)? Y<br>
<br>
Edit .rhosts file now? (y/N) N<br>
<br>
username@computername:~/WIEN2k$ w2web<br>
<br>
Please enter the username: [admin]<br>
Please enter the password: [password]<br>
admin:password<br>
<br>
Select the port to run on: [7890] <br>
<br>
Please enter this system's hostname: [computername] localhost<br>
<br>
Is this your master node?: [y] y<br>
<br>
<div class="moz-cite-prefix">On 6/8/2021 8:15 AM, ben amara imen
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CACAZvnpsUb8ksXV_4jmZ8svaC1qGO-BJUr7jF3mcEYh36c_r0w@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div>Dear <br>
</div>
<div><br>
</div>
<div>Can someone tell me how I can install the parallel
calculation for Wien2k .</div>
<div>Thanks in advance <br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>Best regards <br>
</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CACAZvnpsUb8ksXV_4jmZ8svaC1qGO-BJUr7jF3mcEYh36c_r0w@mail.gmail.com"></blockquote>
</body>
</html>