2-Dimensional Finite Difference Hartree-Fock program (version 1-2003/MPI) This file describes the configuration, compilation and installation of the x2dhf_mpi program. It is assumed that the following files have been successfully extracted from the archive: ./COPYING -- terms of the GNU General Public License ./INSTALLATION -- this file ./README ./Makefile -- file required to build source files and compile/link the program (checked with GNU Make, version 3.79.1, and GNU bash, version 2.05b.0(1)) ./bin/xhf_mpi -- script facilitating the execution of the program ./examples -- a number of test calculations (input/output data) ./src/main-qstatic.inc main-dynamic-f77.inc main-dynamic-f77-dec.inc main-dynamic-f90.inc blk_data.inc.raw commons8.inc.raw commons16.inc.raw dointerp.f.raw dointerp_nu.f.raw dointerp_mu.f.raw fill2.f.raw fill3.f.raw fill4.f.raw main_2dhf.f.raw prepg94.f.raw prepg94l.f.raw quadp.f.raw r_exponents.f.raw fmalloc.c getdatetime.c getusedcpu.c *.f Follow the steps: 1. Edit Makefile to specify variables needed to build include and source files, the system type, compiler and libraries. If MEMALLOC is set to 'qstatic' edit ./src/main-qstatic.inc to set the required configuration and the grid size. 2. Execute 'make all' to produce *.inc and *.f files out of the corresponding *.raw one, compile source files and put the object files in ./obj directory and make the executable ./bin/x2dhf_mpi. 3. Check the program by running it in ./bin using as examples input command files from ./examples. Some test can be performed by using ./Run_tests.pl script (Perl interpreter is required). The corresponding output files are also contained in ./examples. 4. See ./doc/users_guide.pdf or ./doc/users_guide/ for the detailed description of the input commands and the input/output data files and the usage of the script ./bin/xhf_mpi. (Note that when xhf_mpi is used to launch the program it will be run with the lowest priority (the nice value is set to +19)). Note that when xhf is used the program will be run with the lowest priority (the nice value is set to +19). Hints: 'make tar-dist' produces a tar gzipped archive file 2dhf_mm.yy.tar.gz 'make tgz-dist' produces a gzipped tar archive file 2dhf_mm.yy.tgz. 'make clean-obj' removes object files from obj directory. 'make clean-bin' cleans bin directory. 'make all' removes obj directory, prepares *.f and *.inc files, compiles and builds the program.