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Manuscript Title: GPU-based acceleration of free energy calculations in solid state physics
Authors: Michal Januszewski, Andrzej Ptok, Dawid Crivelli, Bartlomiej Gardas
Program title: Free_Energy
Catalogue identifier: AEVX_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 192(2015)220
Programming language: Fortran, CUDA C.
Computer: Any with a CUDA-compliant GPU.
Operating system: No limits (tested on Linux).
RAM: Typically tens of megabytes.
Keywords: Superconductivity, FFLO, CUDA, OpenMP, OpenACC, Free energy.
PACS: 74.20.Mn, 74.70.Xa, 74.20.Rp.
Classification: 7, 6.5.

Nature of problem:
GPU-accelerated free energy calculations in multi-band iron-based superconductor models.

Solution method:
Parallel parameter space search for a global mininimum of free energy.

Unusual features:
The same core algorithm is implemented in Fortran with OpenMP and OpenACC compiler annotations, as well as in CUDA C. The original Fortran implementation targets the CPU architecture, while the CUDA C version is hand-optimized for modern GPUs.

Running time:
Problem-dependent, up to several seconds for a single value of momentum and a linear lattice size on the order of 103