求解含时Gross-Pitaevskii方程的OpenMP GNU和Intel Fortran程序
OpenMP GNU and Intel Fortran programs for solving the time-dependent Gross-Pitaevskii equation
摘要：
我们提出了Fortran 90程序的开放式多处理（OpenMP）版本，用于求解玻色-爱因斯坦凝聚体在一维、二维和三维空间中的Gross-Pitaevskii（GP）方程，并针对GNU和Intel编译器进行了优化。我们使用分步Crank-Nicolson算法进行虚传播和实时传播，从而分别有效地计算固定和非固定解。目前的OpenMP程序专为具有多核处理器的计算机而设计，并针对商业许可的Intel Fortran和流行的免费开源GNU Fortran编译器进行了优化。这些程序易于使用，并为用户提供了有用的评论。所有输入参数都列在每个程序的开头。不同的输出文件提供物理量，如能量，化学势，均方根大小，密度等，我们还提出了新版本的程序的加速测试结果。
英文摘要：
We present Open Multi-Processing (OpenMP) version of Fortran 90 programs for solving the Gross-Pitaevskii (GP) equation for a Bose-Einstein condensate in one, two, and three spatial dimensions, optimized for use with GNU and Intel compilers. We use the split-step Crank-Nicolson algorithm for imaginary- and real-time propagation, which enables efficient calculation of stationary and non-stationary solutions, respectively. The present OpenMP programs are designed for computers with multi-core processors and optimized for compiling with both commercially-licensed Intel Fortran and popular free open-source GNU Fortran compiler. The programs are easy to use and are elaborated with helpful comments for the users. All input parameters are listed at the beginning of each program. Different output files provide physical quantities such as energy, chemical potential, root-mean-square sizes, densities, etc. We also present speedup test results for new versions of the programs.
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