DSQSS(Discrete Space Quantum Systems Solver)

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• In the following, replace MA_ROOT with the following path
• SystemB:
  • /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5
• SystemC
  • /home/issp/materiapps/PrgEnv_intel_8.3.3
• DSQSS is installed in
• $MA_ROOT/dsqss/
• Execution files of DSQSS are available in
• $MA_ROOT/dsqss/dsqss-VERSION/bin
• Sample files of DSQSS are available in
• $MA_ROOT/dsqss/VERSION/samples

How to run DSQSS

As a simple example, we will now calculate the antiferromagnetic Heisenberg dimer.

1. Set up paths and modules in advance
   

   $ source /home/issp/materiapps/oneapi_compiler_classic-2023.0.0--openmpi-4.1.5/dsqss/dsqssvars.sh 

2. Prepare the input file std.toml (# and below are comments). You will find the same in the sample directory, dla/01_spindimer.
   

   [hamiltonian] 
   model = "spin" 
   M = 1 # S=1/2 
   Jz = -1.0 # coupling constant, negative for AF 
   Jxy = -1.0 # coupling constant, negative for AF 
   h = 0.0 # magnetic field 
   [lattice] 
   lattice = "hypercubic" # hypercubic, periodic 
   dim = 1 # dimension 
   L = 2 # number of sites along each direction 
   bc = false # open boundary 
   [parameter] 
   beta = 100 # inverse temperature 
   nset = 5 # set of Monte Carlo sweeps 
   npre = 10 # MCSteps to estimate hyperparameter 
   ntherm = 10 # MCSweeps for thermalization 
   nmcs = 100 # MCSweeps for measurement 
   seed = 31415 # seed of RNG

3. Execute the input file conversion script dla_pre.py with std.toml.
   

   $ dla_pre std.toml

4. Copy the sample script and run the calculation.
   

   $ cp $MA_ROOT/dsqss/sample_jobscript/dsqss.sh . 
   
   # System B
   $ sbatch dsqss.sh
   # System C
   $ qsub dsqss.sh 

5. The calculation results are written to sample.log.
   

   $ grep ene sample.log 
   R ene = -3.76420000e-01 1.54950926e-03

   ene is energy per site.

Measurement of the number of times used

• We measure the number of uses of PASUMS software on the ISSP supercomputer. This becomes an important indicator for evaluating the significance of the project, and we appreciate your cooperation. We can also count the number of users who use versions of the software that are not pre-installed, so we would appreciate your cooperation in counting the number of users to help us understand how the software is being used (for details, please click here). If you do not wish to measure utilization when using pre-installed software, please select dla_nocount/pmwa_B_nocount/pmwa_H_nocount as the executable file.