Table of Contents
Here we will describe how to install and start ATK 2008.10. It will be assumed that you have basic knowledge of how to install programs and manage your operating system. If this is not the case, consult your local system administrator. In addition, we also assume that you have downloaded the ATK software. If this is not the case, you can download the software from the QuantumWise download area.
The installation procedure consists of three steps:
If you experience any problems during the installation or use of the software, please feel free to contact QuantumWise support.
To install ATK, follow the step-by-step instructions system below for your specific operating system.
On Linux, the program is distributed as a
bzip2-compressed tar-ball. Since the exact filename of the tar-ball differs
for different hardware and operating system configurations, we will refer to the
tar-ball here with the name atk.tar.bz2.
The tar-ball should be unpacked in the directory where you want the ATK
directory tree to reside. We will refer to this directory as the
install_dir. If you are installing ATK for a single user, it
is probably best to install the program in your own home directory, but you may of
course also install it system-wide provided you have the relevant permissions for
this operation.
First, copy or move the tar-ball to the directory install_dir
where you wish to install ATK. Open a terminal window and navigate to
this. Then, to extract the contents of the tar-ball, run the following command
from the command prompt
tar xvfj atk.tar.bz2
This creates a new sub-directory called atk to which all
files from the tar-ball are extracted.
Once you have extracted the tar archive, the last step for getting ATK up and
running is to set the PATH environment variable. For Linux, follow
the instructions given here.
To install ATK 2008.10, double-click the distributed exe file and follow the on-screen instructions given by the installer program.
Accept the license agreement.
Then choose the number of users that should have access to running ATK. You may choose to install the program only for yourself, or for anyone that uses the computer (this option is only available if you have Administrator rights).
Customize which ATK components that should installed.
Specify the folder in which you wish to install ATK. The default location is
C:\Program Files\QuantumWise\ATK 2008.10
Click Install, and follow any further instructions.
To simplify the process of starting ATK, it is recommended to add the ATK binary
directory to your PATH variable. After that, you can launch ATK from
anywhere on your system by issuing the command
atk inputfile.py
where inputfile.py is the NanoLanguage script you wish to
execute.
The exact details for defining the PATH variable depends on which
shell you use; for the two most common shells, bash and
tcsh, the shell set-up is controlled via the init files
.bashrc (bash) or
.cshrc (tcsh). Depending on your
shell, add one of the following lines to the relevant init file
bash
export PATH=$PATH:install_dir/atk/bin
tcsh
setenv PATH $PATH:install_dir/atk/bin
The two files .bashrc and .cshrc should
already reside in your home directory. If this is not the case, please create the
one which is relevant for your shell and remember to include the initial dot in
the filename.
Here, we have assumed that ATK was installed in the directory
install_dir; remember to substitute this with the name you have
chosen for the actual installation directory. If you are installing ATK directly
in your home directory, just replace install_dir by
$HOME.
If you are not sure which shell you are using, type the command
echo $SHELL
in a terminal window; for bash, this will most likely return
/bin/bash, whereas the line /bin/tcsh
will be returned if you use tcsh.
The changes made to the shell init files will not be activated until you restart your shell. To activate the changes immediately, type the command
From a bash shell:
source $HOME/.bashrc
From a tcsh shell:
source $HOME/.cshrc
To verify that the environment variable has been set up properly, type the command
echo $PATH
in a terminal window, and it will return the value of the PATH
variable, which now should contain the ATK binary directory.
The simplest way to launch ATK is to use the shortcut ATK
2008.10 in the
Programs → QuantumWise → ATK 2008.10. This shortcut points
to a batch file that will launch a Windows
console with the location of the ATK binary already included in the
PATH.
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Tip |
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It is a good idea to change the “Start in” folder of the shortcut
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The ATK binary directory is also added to the system path by the installer. Thus, one will be able to run ATK from any console window (including Cygwin terminals) without the need to modify any environment variables by hand.
If you anyway wish to edit the path (or other environment variables), then follow these steps:
Open the System tool in the Control Panel
Under the tab Advanced, click on Environment variables.
Edit the PATH variable under System
variables (administrator privileges are required for this action)
or, if you installed the program only for yourself, under User
variables.
If your system uses a Category View in the Control Panel you will find the System tool located under Performance and Maintenance.
Once the software package and the license have
been installed, you should test the installation to see that everything works. To do
this, open a terminal (under Windows, the easiest way is to launch the ATK 2008.10 shortcut in
Start Menu → Programs → QuantumWise → ATK 2008.10), and type
atk --version
If this returns something similar to
ATK 2008.10
your installation is complete.
If you get any error messages related to the FLEXlm license, please consult the guide The FLEXlm license system.
If you receive the error message
atk: command not found
it most likely means that your PATH was not set up correctly
(see above).
If you get the error
ImportError: libstdc++.so.6: cannot open shared object file: No such file or directory
(or the corresponding message with libstdc++.so.5), please
refer to the ATK 2008.10
system requirements for instructions on how to solve the problem.
To uninstall ATK under Linux, simply remove the entire directory where the program distribution was extracted - provided, of course, that it does not contain any other files that you wish to keep, such as important output from your ATK calculations!
ATK currently runs on most Linux and Microsoft Windows platforms on 32 or 64 bit PCs. An updated list of the detailed system requirements can be found on the QuantumWise web page.
To install ATK you need about 100 MB of free storage space on the installation drive. But since the files created by ATK when running the program can become very large, we recommended having at least 500 MB of disk storage available (even with this in mind, you should note that certain calculations can require gigabytes of storage space).
The tasks performed in ATK involve complex numerical calculations, which puts heavy demands on both the computer processor and memory. Although there is no specific minimum requirement, other than those that generally apply for running applications on a specific operating system, it is highly recommended to equip the computer with a large amount of memory (both RAM and swap), with 512 MB being an absolute minimum and 2 GB a reasonable number for larger (but not too large) calculations. As for the processor, it is a good idea to have at least a Pentium 4 or an equivalent processor available, and certainly a clock frequency above 2 GHz.
In order to run ATK in parallel, some additional system requirements and information for platforms with parallel support is available in Parallel calculations using ATK.
Please make sure that you follow the instructions and steps described above closely. For problems related to the FLEXlm licenses, please consult the guide The FLEXlm license system.
You are of course always welcome to contact QuantumWise support via our Help Desk if you encounter or experience any problems when installing or running ATK.
In addition, you may also find some general advice about ATK on the QuantumWise web page.
We hope that you will enjoy working with ATK!