Currently, the program runs under
Microsoft Windows 2K/XP operating systems.
The installation consists of unpacking the archive.
Copy the archive file to the folder of your choice.
Note that unpacking creates a subfolder.
Use the built-in decompression tool (Windows XP) or any third-party software.
Links to free decompression tools can found at
(e.g., un<version N>zxN.exe at
Unpack using the following command:
unzip <archive name>.zip
Ascalaph Quantum installation requires downloading the
PC GAMESS program (Free).
Go to the
site of Moscow State University.
Select and download the package suitable for your hardware in the
The archive is protected by two passwords, which can be requested via e-mails specified.
Unpack the file and install the desired configuration of the program.
The simplest way to install the serial version of PC GAMESS is to transfer
the pcgamess.exe and mpibind.dll to the
Otherwise, the path.txt file should be created in the
AscalaphQuantum\GAMESS folder and the path to the GAMESS files
should be specified in it (as exemplified in the path.txt.example
Currently, our program directly supports only the serial version of
PC GAMESS. If the parallel version is required, Ascalaph Quantum
can be used to generate a task (input file) for calculation on a
multicore computer or cluster of workstations.