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 (email@example.com). In case you do not have a license for ADF yet, please visit the Pricing & Ordering part of our website.
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.
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.
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)|
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
|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|
We support in principle 3 varieties:
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.
Follows a concise guide for installation. For more details consult the Installation manual.
# 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
# Move the downloaded files to $ADFHOME mv *.gz $ADFHOME
# move to the adfhome directory, and unpack the files cd $ADFHOME gunzip *.gz foreach f (*.tar) tar -xf $f end
# run configure cd $ADFHOME Install/configure # answer the questions from the script ...
# make (only when you have the sources) cd $ADFHOME make
# generate license information $ADFBIN/adf << EOR EOR
and follow the instructions (send us the information just printed).
# cleaning up cd $ADFHOME rm *.tar
For more information about the installation procedure see the Installation Manual.