HΦ

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.

Official Page: http://www.pasums.issp.u-tokyo.ac.jp/hphi/en

GitHub: https://github.com/issp-center-dev/HPhi

• In the following, replace $MA_ROOT with the following directory
• SystemB
• MA_ROOT=/home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5
• SystemC
• MA_ROOT=/home/issp/materiapps/PrgEnv-intel_8.3.3
• The directory where HPhi is installed:
  • $MA_ROOT/hphi/
• The directory where the execution file of HPhi is installed:
  • $MA_ROOT/hphi/hphi-3.5.1-1/bin/

  (*) The build option can be checked by typing the following command:

  $ less $MA_ROOT/hphi/hphi-3.5.1-1.log

• The directory where sample scripts and input files are stored:
  • $MA_ROOT/hphi/hphi-3.5.1-1/samples/
• How to run HΦ  (ex. calculation of the ground state energy on the  Heisenberg chain by Lanczos method)
1.  Preparing the computing environments 

   $ source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/hphi/hphivars.sh

   This will pass the PATH to the binary files of the latest version of HPhi. It also stores the path to the HPhi installation directory in the environment variable HPHI_ROOT. You can also use HPhi at the specific version. For example, if you want to use the version 3.5.1, please type as 

   $ source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/hphi/hphivars-3.5.1-1.sh

2. Preparing  input files

   $ cp -r $HPHI_ROOT/samples ~/HPhi-samples

3. Submitting job

   $ cd ~/HPhi-samples/old/CG/Heisenberg  
   $ cp /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/hphi/sample_jobscript/HPhi_standard.sh .  
   
   # System B
   $ sbatch HPhi_standard.sh
   # System C
   $ qsub HPhi_standard.sh
   

   A sample script is available in $MA_ROOT/hphi/sample_jobscript/. Copy the script to the current folder and submit the job. The sample scripts are HPhi_expert.sh for expert mode and HPhi_standard.sh for standard mode.

Contact

• How to use HPhi (e.g., create inputs), functions, etc.
  HPhi on GitHub: https://github.com/issp-center-dev/HPhi/issues
• How to Execute on ISSP Supercomputer System
  Software Consultation Service for ISSP Supercomputer
  center-apps__at__issp.u-tokyo.ac.jp (please replace __at__ by @)