

The current version of the DYNAMO module library has been tested on the following compiler/machine
combinations:
The installation procedure for the library is relatively unsophisticated and involves the following steps on UNIX
machines:
- Download the file fdynamo-2.2.tgz that contains the library.
- Put the downloaded file in the directory where the library is to be installed.
- Type gunzip fdynamo-2.2.tgz which will uncompress the file.
- Type tar xvf fdynamo-2.2.tar. This command unpacks the downloaded file and creates the directory
fdynamo-2.2.
- Go to the DYNAMO directory by typing cd fdynamo-2.2.
- Choose the compiler and/or machine type for which the installation is to be performed. The currently allowed
installations are intel (the Intel compiler on PC/Linux systems), nagpc (the NAG compiler on PC/Linux systems) and
pgpc (the Portland Group compiler on PC/Linux systems).
- Run the installation script by typing ./install.com followed by one of the strings denoting the compiler
type, e.g. ./install.com nagpc.
- If all goes well set the environment variable denoting the home directory of the DYNAMO library and an
alias for the script that can be used to link and run programs written for the library. This can be done most
conveniently by adding two lines to the .cshrc file of the type setenv DYNAMO_V2PT2
the_dynamo_directory and alias dynamo $DYNAMO_V2PT2/run.com. Once this has been done all
DYNAMO jobs can be run using the command dynamo program_name.
- To test the library, type cd examples and then either ./testall.com or ./testshort.com. The
script testall.com will run all the examples and will take up to a week (!) to finish depending upon the
machine that is being used. The script testshort.com will run only the short tests and will take a few hours.
The output files generated by the examples can be compared to those supplied in the directory outputs.
In the installation procedure given above, the atom-based force-switching truncation version of the non-bonding energy
module is installed by default. To choose one of the other versions of the module, go to the directory source and
type either cp energy_nb_ewald.f90 energy_nb.f90 or cp energy_nb_full.f90 energy_nb.f90. Then type cd
../ and rerun the installation script.
If anyone comes up with a cleaner installation script for UNIX or any procedure at all for installing the library on MAC
and PC/Windows machines please contact us!