Peacemaker program for Quantum Cluster Equilibrium calculations
Peacemaker is a modern FORTRAN code and thus requires a modern FORTRAN compiler. We recommend a recent version of gfortran which is used for active development. Peacemaker can be built by running
$ make release
which should produce a run time optimized binary called peacemaker. In case of errors, adjust the makefile to your compiler. We recommend the following compiler flags or your compiler’s equivalents:
-O3 highestoptimization level that guarantees standard compliance-fopenmp OpenMPparallelization-fltolink-time optimization
A version suitable for development and debugging can be built by running
$ make debug
Note: Older versions of gfortran are subject to a bug which prevents OpenMP parallelization. If you receive the error message “Attempting to allocate already allocated variable ‘ib’ ”, compile without OpenMP support, or upgrade to a newer compiler version.
Peacemaker is run by
$ peacemaker [input] [clusterset]
where [input] is the location of the input file and [clusterset] is the location of the clusterset file. The structure of both files is explained in Section 4 of the manual. If Peacemaker was compiled with OpenMP parallelization, it can be run in parallel by
$ OMP_NUM_THREADS=[N] peacemaker [input] [clusterset]
In this case, [N] specifies the number of threads to run with.