yingwaili / BMSP2017

Demonstration codes for the Replica-Exchange Wang-Landau sampling tutorial lectures

Replica-Exchange Wang-Landau sampling tutorial lectures at IX Brazilian Meeting on Simulational Physics, 2017

This is a set of demonstration codes complementary to the Replica-Exchange Wang-Landau sampling tutorial lectures given at the IX Brazilian Meeting on Simulational Physics, August 21-25, 2017, Natal, Brazil.

Please cite the conference proceeding paper J. Phys.: Conf. Ser. 1012 (1), 012003 (2018) that can be found at https://iopscience.iop.org/article/10.1088/1742-6596/1012/1/012003

To compile the code:

mpicxx -o WLpotts_mpi WLpotts_mpi.cpp

Examples to run the code:

Example 1:
3 MPI ranks, 0.5 overlap, 1 walker/window, 1000 MC steps between replica exchanges, random number seed = 14 . mpirun -np 3 ./WLpotts_mpi 0.5 1 1000 14 .

Example 2:
6 MPI ranks, 0.5 overlap, 2 walkers/window, 1000 MC steps between replica exchanges, random number seed = 14 . mpirun -np 6 ./WLpotts_mpi 0.5 2 1000 14 .

Example 3:
5 MPI ranks, 0.8 overlap, 1 walkers/window, 500 MC steps between replica exchanges, random number seed = 398 . mpirun -np 5 ./WLpotts_mpi 0.8 1 500 398 .