You must be authorized to download software from this server.
Proper authorization means that either
- You have a license agreement with SCM,
AND your maintenance has not yet expired
or
- You have explicit consent from SCM (for a special occasion)
to download the software.
Contact us (email to support@scm.com)
if you have a maintenance contract
but you don't have a username+password.
Unauthorized downloading of the software constitutes a criminal offense.
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 (v2000.02) | Examples (v2000.02) | Source (v2000.02) |
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
appropriate compilers.
The ADF-Cerius2 interface ADF-C2 GUI is currently only available for SGI.
| Platform | Executables | Install | ADF-C2 GUI |
|---|---|---|---|
| Compaq (Alpha) OSF1 (True64) README | v2000.02 (PVM_ARCH=ALPHA) | v2000.02 | |
| Compaq (Alpha) Linux | v2000.02 (PVM_ARCH=LINUXALPHA, MPI) | v2000.02 | |
| Cray C90 | v2000.02 | v2000.02 | |
| Cray T3E | v2000.02 | v2000.02 | |
| Fujitsu | v2000.02 (PVM_ARCH=UXPV) | v2000.02 | |
| NEC | v2000.02 (MPI) | v2000.02 | |
| IBM RS6K (xlf3) | v2000.02 (PVM_ARCH=RS6K) | v2000.02 | |
| IBM RS6K (xlf5) | v2000.02 (PVM_ARCH=RS6K) | v2000.02 | |
| Pentium Linux | v2000.02 (PVM_ARCH=LINUX) | v2000.02 | |
| HP | v2000.02 (MPI) | v2000.02 | |
| SGI IRIX 6.2 README | v2000.02 (PVM_ARCH=SGI6) | v2000.02 | v1999 |
| SGI IRIX 6.4 | v2000.02 (PVM_ARCH=SGI6) | v2000.02 | |
| SGI IRIX 6.5 | v2000.02 (PVM_ARCH=SGI6, MPI) | v2000.02 | |
| Sun | v2000.02 (PVM_ARCH=SUN4SOL2) | v2000.02 |
We support in principle 3 varieties:
The files that you've downloaded are zipped tar files. You must uncompress
and untar all of them in the master directory of your ADF installation ($ADFHOME).
Follows a concise guide for installation.
>>> Step 1: Set the environment variables for the ADF package.
We recommend that you define them
in your shell startup script (.login, .cshrc, .zshenv, ...,
depending on your shell), because you do
not only need them for the installation,
but (some of them) also for running the programs.
The values assigned in the scheme below are, of course,
examples and the syntax may have to be
adjusted to the shell you're using.
setenv ADFHOME $HOME/adfhome
# the master directory of the ADF package
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. Note: you don't need to have the license file already,
just specify where you intend to place it later.
setenv SCMWISH /usr/local/bin/wish8.0
# this variable is needed by the ADF-Cerius2 Interface. You need version 8.0 (or later) of
Wish. Even if you won't use the Interface you must set this variable (you may assign an arbitrary value),
because its existence will be checked by the installation procedure.
setenv NSCM 16
# the default number of parallel processes to use. Just assign a reasonable default. You can always
override it in each actual calculation.
setenv TEMPDIR /tmp
# the scratch directory for parallel child processes.
setenv SCMSPAWNSCRIPT $ADFBIN/adfs
# the script to spawn the parallel child processes. The provided "adfs" script of the ADF distribution
should work just fine in normal situations.
setenv PVM_ARCH SGI6
# the PVM architecture name (for PVM versions only). Consult your PVM documentation for the appropriate
name for your platform
setenv PVM_ROOT /slocal/pvm3
# the master directory of your PVM installation
setenv GNUPLOT /slocal/bin/gnuplot
# the gnuplot executable. This is used (only) in some of the sample runs to display orbitals,
Densities of States graphs, and so on.
>>> Step 2: Create $ADFHOME ("mkdir") and put all the downloaded files in $ADFHOME
>>> Step 3: Go ("cd") to $ADFHOME, and then, for each file $f.tar.gz, unzip and untar:
gunzip $f.tar.gz
tar -xf $f.tar
>>> Step 4: Execute the installation-script "configure" while you are in $ADFHOME. That script is located in a subdirectory $ADFHOME/Install/ but you must execute it in $ADFHOME.
Install/configure
The script runs an interactive dialogue with you. It should be self-explaining.
>>> Step 5: If you have the source codes and wish to compile yourself, run the UNIX make in $ADFHOME. Otherwise, you can skip this step and directly use the precompiled executables, which should have been put in $ADFBIN by the Install/configure procedure.
>>> Step 6: Finally, 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 when you try to run it without a valid license file. To do so, just type:
$ADFBIN/adf << EOR
EOR
and follow the printed (output) instructions.
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