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HΦ

  • Openness:3 ★★★
  • Document quality:2 ★★☆

An exact diagonalization package for a wide range of quantum lattice models (e.g. multi-orbital Hubbard model, Heisenberg model, Kondo lattice model). HΦ also supports the massively parallel computations. The Lanczos algorithm for obtaining the ground state and thermal pure quantum state method for finite-temperature calculations are implemented. In addition, dynamical Green’s functions can be calculated using Kω, which is a library of the shifted Krylov subspace method. It is possible to perform simulations for real-time evolution from ver. 3.0.

How to install HPhi on macOS using MateriApps Installer
Last Update:2021/12/09
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MateriApps Development Team

1. Introduction

This review explains how to install HPhi on macOS (Big Sur) using Homebrew and the MateriApps Installer.

2. Install Homebrew

Open a terminal and follow the instructions at https://brew.sh to install Homebrew:

/bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/ Homebrew/install/HEAD/install.sh)"

3. Install the compiler, tools, and libraries

Using Homebrew, install GCC, CMake, Git, and OpenMPI:

brew install gcc cmake git open-mpi

4. Download MateriApps Installer

cd $HOME
git clone https://github.com/wistaria/MateriAppsInstaller.git

A set of scripts will be downloaded to $HOME/MateriAppsInstaller.

5. Setup the MateriApps Installer environment

sh $HOME/MateriAppsInstaller/setup/setup.sh

$HOME/materiapps will be created and the minimum required scripts will be installed.

6. Install gcc-wrapper and HPhi

Homebrew installs GCC with a name with a version number, e.g. gcc-11. In order to be able to call GCC with a name without a version number, first install gcc-wrapper. Then, install HPhi

sh $HOME/MateriAppsInstaller/tools/gcc-wrapper/install.sh
sh $HOME/MateriAppsInstaller/tools/gcc-wrapper/link.sh
sh $HOME/MateriAppsInstaller/apps/hphi/install.sh gcc
sh $HOME/MateriAppsInstaller/apps/hphi/link.sh

HPhi and other applications will be installed under $HOME/materiapps.

7. Run the tutorial

First, set the environment variables necessary for execution, such as $PATH, etc. The location of HPhi is also set in $HPHI_ROOT environment variable:

source $HOME/materiapps/hphi/hphivars.sh

Note: The above operation is required every time you open a terminal. Or, if you put the above line in $HOME/.zshrc, it will be executed automatically when you open the terminal.

Next, copy the tutorial files and run it:

cp -r $HPHI_ROOT/samples $HOME
cd $HOME/samples/tutorial_1.1
HPhi -s stan1.in

The eigenenergies of the spin-1/2 dimers will be calculated. More tutorials are available at https://issp-center-dev.github.io/HPhi/manual /develop/tutorial/en/html/.

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