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Serial version

ORAC has been written mostly in FORTRAN 77. The present release 5.1 includes some FORTRAN90 code and can no longer be compiled with the g77 compiler. However, ORAC 5.1 can be compiled with gfortran, the Gnu FORTRAN compiler for GCC, the Gnu Compiler Collection. ORAC 5.1 is currently supported only for Linux operating systems. The source code is distributed along with a Makefile which has been tested on several Linux platforms. You must have the Gnu version of make to make the executable. As a configure file is not provided in this release, for other UNIX platforms the Makefile may need some hacking. The ORAC distribution file is a tar archive containing the ORAC source code and a few examples which illustrate most of the important features of the program.

The untarring of the distribution file using the command tar -xvf orac5.1.tar.gz will create a directory with the following sub-directories:

./ORAC
./ORAC/doc
./ORAC/etc
./ORAC/lib
./ORAC/pdb
./ORAC/src
./ORAC/tests
./ORAC/tools

The directory ./ORAC/doc contains this manual in pdf and HTML format.
The directory ./ORAC/etc contains material for developers
The directory ./ORAC/lib contains the force field parameters (AMBER03) and topology files (see sec. 8.3)

The directory ./ORAC/pdb contains The Protein Data Bank format coordinate files for running the input examples in ./ORAC/tests
The directory ./ORAC/src contains the source code. Read the copyright agreement COPYRIGHT_NOTICE before modifying or distributing the code.
The directory ./ORAC/tools contains ancillary codes for analyzing MD data.

In order to see the list of the available compilation targets do

% make show 
make with no arguments will show the main targets with a short help. To compile ORAC just do
% cd $HOME/ORAC 
% make default
In this case the FORTRAN compiler is by default gfortran. The current release of the Makefile supports also the Intel\textregistered FORTRAN compiler and xlf90 IBM compiler. To compile ORAC with the Intel FORTRAN compiler do
% cd $HOME/ORAC 
% make Intel 
To compile ORAC with the IBM xlf90 FORTRAN compiler do
% cd $HOME/ORAC 
% make IBM


next up previous contents index
Next: Parallel version Up: Compiling the Program Previous: Compiling the Program   Contents   Index