DFM-POTÌ - parallel calculation of the double folding nucleus-nucleus potential

Authors: Ê.V.Lukyanov, E.V.Zemlyanaya, M.V.Bashashin
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Language: C++

The DFM-POTM software package implements the calculation of a nucleus-nucleus optical potential of elastic scattering within the double folding model (DFM). The complex includes three constituents:
     - serial C++ version,
     - parallel MPI version,
     - parallel OpenMP version.

The DFM-POTÌ complex is the development of the computer code DFM-POT. All codes provide the same outcome. For convenience, the input parameters in DFM-POTÌ, DFM-POTÌ_MPI and DFM-POTÌ_OpenMP are introduced via the input file with arbitrary name which should be indicated in the run command. In the input file, the following parameters should be given in (arbitrary order):
     - n, number of points of discrete mesh in coordinate;
     - En, energy of interacting nuclei (MeV per nucleon of the projectile nucleus);
     - AA1, atomic mass of the projectile nucleus;
     - ZZ1, the charge of the projectile nucleus;
     - AA2, atomic mass of the target projectile nucleus;
     - ZZ2, the charge of the target nucleus.

The integration interval rmax is equal 10 fm and can be changed directly in the code. Parameters of the nucleon-nucleon potential parameters correspond to the M3Y-Paris model and also can be changed in the code if needed.

The nuclear density distributions in the projectile and in the target should be determined by the user in the functions double fun_rho1 è double fun_rho2, respectively.

The results of calculation are saved in the file with the name dfpot_<number>.out where <number> is n, the number of points of the discrete mesh in coordinate r. In the output file, the 1st column is coordinate r (fm); 2nd, 3rd, and 4th columns are, respectively, direct potential, exchange potential, and the resulting double folding potential (in (MeV).

Both MPI- and OpenMP-versions provide significant acceleration in comparison with the serial code that is confirmed by test calculations on the CICC multiprocessor cluster and on the heterogeneous HybriLIT cluster of the JINR Multifunctional Information and Computing Complex.

A detailed description of the method for constructing the DFM potential and the iteration procedure is given in [1]. The parallel algorithm and the results of testing the efficiency of the MPI code are presented in [2]. Results of comparative analysis of efficiency MPI and OpenMP versions depending on the number of parallel devices are briefly presented in [3].

The DFM-POTM program complex archive contains four folders. Three of them, with the names “serial”, “mpi” and “openmp”, contain respectively the serial code, MPI-code and OpenMP-code, input files (identical for all versions), the test run results (the same for all versions), as well as script-files to run this on the HybriLIT cluster. The folder “complex” contains all three versions of the code and the script to run with a choice of the required version, the input file, output files with the outcome results for each of three versions, and the readme-file with brief instructions for compiling and running the complex on the HybriLIT cluster.

Download sources with input and ouput files.


  1. K.V.Lukyanov. Double Folding Model of Nucleus-Nucleus Potential: Formulae, Iteration Method, Computer Code. JINR Preprint P11-2007-38, Dubna, 2007.
  2. E.V.Zemlyanaya, K.V.Lukyanov, M.V.Bahsashin. MPI calculation of microscopic nucleus-nucleus optical potential within the frame of the double-folding model. System Analysis in Schience and Education, Issue 3, 2016, Published by the State Dubna University.
  3. M.V.Bahsashin, E.V.Zemlyanaya, K.V.Lukyanov. Parallel Implementation of the Microscopic Optical Nucleus-Nucleus Potential Model on the Basis of MPIand OPENMP Technologies, Information and telecommunication technologies and mathematical modeling of high-tech systems: materials of the All-Russian Conference with international participation, 248-251, 2018.

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