Download Page - ADF version 2002.02

Downloading

Username and password

In order to download the files of the ADF package, a username and password are required. If you are a current user but have forgotten your password, please contact us (admin@scm.com). In case you do not have a license for ADF yet, please visit the Pricing & Ordering part of our website.

ADFview

With this release we have included a beta version of the ADFview program. ADFview is the first released module of what is called the ADF-GUI. The second module will be ADFinput for generating ADF input files. ADFview may be used to visualize orbitals, densities, potentials, and so on. Instructions on the use of ADFview can be found in the ADFview documentation.

Supported platforms

The ADF package is available, and has been tested, for the many different platforms. If your platform is not listed, please contact SCM and let us know about the hardware and operating system combination you would like to use.

Platform-independent Resources

The ADF database (AtomicData), example runs (Examples) and source files are platform independent, so you have to download these only once. If you want to compile the package yourself you also need the source code.

If your license does not include source codes you are not authorized to download the Source files.

Platform-independent Resources

AtomicData (v2002.02)

Examples (v2002.02)

Source (v2002.02)

Platform-dependent Files

You may install the ADF package as follows:

To install the executables that we have already compiled for you: download the executables corresponding to your platform.
To use the source codes and compile the package yourself: download the Install package. Note: to compile the source you need the appropriate compilers.

Platform	Executables	Install
Compaq (Alpha) OSF1 (True64 4.0)	v2002.02 (PVM_ARCH=ALPHA)	v2002.02
IBM RS6K (xlf7)	v2002.02 (PVM_ARCH=AIX46K or MPI version)	v2002.02
Pentium Linux	v2002.02 (PVM_ARCH=LINUX)	v2002.02
Pentium Windows 98, NT, 2000	v2002.02 (serial)	not available
Macintosh OS X (README!)	v2002.02 (PVM, PVM_ARCH=MACOSX)	v2002.02
HP	v2002.02 (MPI or serial)	v2002.02
SGI IRIX 6.2	v2002.02 (PVM_ARCH=SGI6)	v2002.02
SGI IRIX 6.5	v2002.02 (MPI, PVM_ARCH=SGI6 and serial)	v2002.02
Sun	v2002.02 (PVM_ARCH=SUN4SOL2)	v2002.02

We support in principle 3 varieties:

The parallel version with PVM message passing
The parallel version with MPI message passing
The non-parallel or serial version

The PVM version can be used also as the serial version and will in fact operate so if you have no PVM installation on your machine. Just ignore the messages about the missing PVM daemon.
If you need an MPI version, or a PVM version for any of the other platforms, it will have to be compiled. Contact us for further information.

How to proceed after downloading

Follows a concise guide for installation. For more details consult the Installation manual.

Step 1: Set the environment variables for the ADF package.

We recommend that you define them in your shell startup script (.cshrc, .login, .zshenv, ...)

# Environment variables with typical values (you may need different values) using C-shell syntax.
# Add these to your .cshrc


# For all UNIX versions (including Macintosh OS X)
# ================================================

mkdir $HOME/adfhome                        # the master directory of the ADF package

setenv ADFHOME $HOME/adfhome               # environment variable pointing to the master directory
setenv ADFBIN $ADFHOME/bin                 # the directory for run scripts and program binaries
setenv ADFRESOURCES $ADFHOME/atomicdata    # the location of the ADF database

setenv SCMLICENSE $ADFHOME/license         # the location of your SCM license file (when you get it)
setenv NSCM 16                             # the default number of parallel processes to use


# For Window 98, NT and 2000, with the Cygwin UNIX emulator
# =========================================================
# We used the Cygwin 1.3.10 release. Cygwin can be downloaded from http://www.cygwin.com.
# We installed every Cygwin package, not only the Default one.

# You must make the adfhome directory in /cygdrive/c (within the Cygwin environment),
# so you may NOT use $HOME/adfhome!

# You may give the directory adfhome a different name
# It is necessary to follow these instructions very precisely for the making of the
# adfhome directory, links to this directory and environmental variables, like ADFHOME.
# Otherwise files can not be found either by Cygwin, or by the PGI compiled adf version.

mkdir /cygdrive/c/adfhome                     # the master directory of the ADF package

# Use the following link and environment variables (in bash shell syntax for Cygwin):

ln -s /cygdrive/c/adfhome /adfhome            # for the PGI compiler /cygdrive/c is the same directory as /

export ADFHOME=/adfhome                       # environment variable pointing to the master directory
export ADFBIN=$ADFHOME/bin                    # the directory for run scripts and program binaries
export ADFRESOURCES $ADFHOME/atomicdata       # the location of the ADF database
export SCMLICENSE=$ADFHOME/license            # the location of your SCM license file (when you get it)
export NSCM=1                                 # the default number of parallel processes to use
export PATH=$PATH:.:$ADFBIN:$ADFBIN/TclTk/bin # the directories where executables and dll files can be found


# These environment variables are needed for PVM installations only
# =================================================================

setenv TEMPDIR /tmp                        # the scratch directory for parallel child processes
setenv SCMSPAWNSCRIPT  $ADFBIN/adfs        # the script to spawn the parallel child processes
setenv PVM_ARCH SGI6                       # the PVM architecture name
setenv PVM_ROOT /usr/local/bin/pvm3        # the master directory of your PVM installation

Step 2: Move all the downloaded files to $ADFHOME

# Move the downloaded files to $ADFHOME

mv *.gz $ADFHOME

Step 3: Unpack the downloaded files

# move to the adfhome directory, and unpack the files

cd $ADFHOME
gunzip *.gz
foreach f (*.tar)
  tar -xf $f
end

Step 4: run configure

Execute the installation-script "configure" while you are in $ADFHOME.

# run configure 

cd $ADFHOME
Install/configure

# answer the questions from the script ...

Step 5: If you have the source code: run make

# make (only when you have the sources)

cd $ADFHOME
make

Step 6: Generate license information

To run the programs successfully you need a license file, which WE create for you.
To do so we need some technical information that the program generates.

# generate license information

$ADFBIN/adf << EOR
EOR

and follow the instructions (send us the information just printed).

Step 7: Finally...

After receiving your license file, copy it to $SCMLICENSE. That is the place where the programs will be looking for it.
If everything is working, you can now remove the tar files.