Zori: A quantum Monte Carlo program

Zori compilation instructions

Current Version 0.7

This page will probably be never be completely accurate because Zori is constantly in development. We will urge to use the Zori users mailing list to discuss compilation issues. At the end of this page, there are notes for specific platforms (Mac OS 10.3 ). We assume a Linux computer otherwise.

Obtaining Zori

Currently, the only way of obtaining Zori is to be a collaborator or developer. Eventually, when it will be released, you will be able to download it from this site, after filling a questionaire.

If you are a collaborator or developer, you will have CVS access, and these are the steps to obtain the code:

export CVSROOT=:pserver:user@sunsite.dk:/pack/cvsroots/zori

cvs login

cvs get zori

Zori will be downloaded from the CVS into a subdirectory called zori

Paths

We assume thay you will install everything in the $ZORI_HOME directory, and therefore have your environment variables set as:

export ZORI_HOME=$HOME/zorihome

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$ZORI_HOME/lib

export PATH=$PATH:$ZORI_HOME/bin/

export ACLOCAL_FLAGS=$ACLOCAL_FLAGS:" -I $ZORI_HOME/share/aclocal "

Requirements

The following packages (RPM, dpkg and/or source installations) need to be installed:

Program	RPMs, APT packages	Minimum Version	Source Links	Compilation instructions
GNU Scientific Library (gsl)	gsl, gsl-devel	1.4	ftp://mirrors.rcn.net/pub/sourceware/gsl/	./configure ---prefix=$ZORI_HOME make ; make install
popt	popt (sometimes popt-devel)	1.0	ftp://ftp.rpm.org/pub/rpm/dist/rpm-4.1.x/	./configure --prefix=$ZORI_HOME make ; make install
glib	glib glib-devel or pkgconfig glib2 glib2-devel	1.2 2.2	ftp://ftp.gtk.org/pub/gtk/v1.2/ ftp://ftp.gtk.org/pub/gtk/v2.4/	./configure --prefix=$ZORI_HOME make; make install /configure --prefix=$ZORI_HOME make; make install (first for pkgconfig, and then for glib2
libxml2	libxml2 libxml2-devel libxml2-python	2.6.6	ftp://.xmlsoft.org/	./configure --prefix=$ZORI_HOME make; make install
NCSA HDF5	N/A to our knowledge	16.2	ftp://ftp.ncsa.uiuc.edu/HDF/HDF5/current/src/	/configure --prefix=$ZORI_HOME make; make install
NCSA HDF5_HL	N/A to our knowledge	1.2.0	ftp://ftp.ncsa.uiuc.edu/HDF/HDF5/hdf5_hl/	/configure --prefix=$ZORI_HOME make; make install Note: Compilation of examples might fail. Nevermind, do the make install step

There is a directory where we collected some of the required files listed above . You can access it via http from this link.

NOTE: The ATLAS ( Automatically tuned linear algebra software ) package can be optionally downloaded and installed for increasing Zori's linear algebra performance.

Message Passing Interface

An implementation of MPI, such as LAM or MPICH is required for compilation. In this document, we assume you are using LAM.

Compilation

Here are the steps that hopefully will lead to a succesful Zori compilation:

cd zori

aclocal

NOTE: If you get complaints about GSL, XML or GLIB macros missing, it is very probable that the ACLOCAL_FLAGS variable was not set correctly. You can try the command:

aclocal -I $ZORI_HOME/share/aclocal

Then, you need to autogenerate the configuration:

chmod 755 ./autogen.sh


# If you have glib 2.0 or higher:

CC='mpicc -I $ZORI_HOME/include -L$ZORI_HOME/lib' ./autogen.sh  \
--prefix=$ZORI_HOME --enable-debug

# If you have glib 1.2 :

CC='mpicc -I $ZORI_HOME/include -L$ZORI_HOME/lib' ./autogen.sh  \
--prefix=$ZORI_HOME --enable-debug --enable-glib1

Look for any fatal errors from the configuration procedure. It might complain that some of the features in configure.in are deprecated. That is normal.

NOTE: The --enable-debug option compiles Zori with debugging options. One can also omit it for faster performace. One can run ./configure --help to see all available autogeneration/configure options.

The code should be compiled with

make

NOTE: If the compilation complains at the end that zopt.cc cannot compile. Ignore the message, thsi is yet another unsolved configure.in buglet.

Feel free to contact the developers if you have any questions.

Platform-specific instructions

MacOSX 10.3.2 (Panther)

Obtain Fink and install it. Yes. Don't think, just get it
Use Fink Commander to install the following packages (The version that we used is in parenthesis. Anything earlier than that is not recommended)

gettext (0.10.40)
gettext-bin
gettext-devel
popt (1.7.1)
popt-shlibs
glib2 (2.2.3)
glib2-dev
glib2-shlibs
libxml2 (2.2.4)
libxml2-bin
libxml2-shlibs

Make sure you have the default paths set, but also modify AC_LOCAL_FLAGS by running the following command:

export ACLOCAL_FLAGS=$ACLOCAL_FLAGS:" -I /sw/share/aclocal"

Download and install manually the following packages.

Program	RPMs, APT packages	Minimum Version	Source Links	Compilation instructions
GNU Scientific Library (gsl)	gsl, gsl-devel	1.4	ftp://mirrors.rcn.net/pub/sourceware/gsl/	./configure ---prefix=$ZORI_HOME make ; make install
NCSA HDF5	N/A to our knowledge	16.2	ftp://ftp.ncsa.uiuc.edu/HDF/HDF5/current/src/	/configure --prefix=$ZORI_HOME make; make install
NCSA HDF5_HL	N/A to our knowledge	1.2.0	ftp://ftp.ncsa.uiuc.edu/HDF/HDF5/hdf5_hl/	/configure --prefix=$ZORI_HOME make; make install Note: Compilation of examples might fail. Nevermind, do the make install step

Type this horrible, yet powerful UNIX command

CC="mpicc -I${ZORI_HOME}/include -I/sw/include" \
LDFLAGS="-L${ZORI_HOME}/lib -L/sw/lib ${LDFLAGS} " ./autogen.sh \
--prefix=${ZORI_HOME} --enable-debug

make

NOTE: Some of these steps appear in the unsupported script zmake_osx located in the
Required files,

NOTE: If you are compiling on the IBM SP, this post-compilation modification is important for runs at large concurrencies:

After compiling,
Run:

change_maxdata

Specify your compiled zori binary
and then use the magic number of 7.