Quick Start Guide

Docker

Clone the repository and get into the folder crust-dft

git clone https://gitlab.com/nsf-muses/crust-dft/crust-dft.git
cd crust-dft

Download the docker image

To download the built image from dockerhub the user can use

docker pull registry.gitlab.com/nsf-muses/crust-dft/crust-dft:1.0.0

Run the docker image

To mount local directories and run the docker image as a container run

docker run -it --rm --name crust-dft -u 0:0 \
-v "${PWD}/input:/opt/e4mma/input" \
-v "${PWD}/output:/opt/e4mma/output" \
-v "${PWD}/data:/opt/e4mma/data" \
registry.gitlab.com/nsf-muses/crust-dft/crust-dft:1.0.0 /bin/bash

This will put the user in a terminal inside the src folder where the main executables eos and eos_nuclei are. To exit the container type exit and press enter.

Use Crust-DFT inside docker

Once the user is in the container, they can run the main executable eos_nuclei followed by -help to get accustomed to the command-line and the available commands

./eos_nuclei -set data_dir "../data" -help

or

./eos_nuclei -set data_dir "../data" -help point-nuclei

Evaluate the EOS (without nuclei) at a particular point (nB, Ye and T). Note that the code needs to be read a few data files, so we begin by setting the data_dir parameter.

This is the fiducial model from Du et al. (2022)

./eos -set data_dir "../data" \
-select-model 470 738 0.5 13.0 62.4 32.8 0.9 -point 0.08 0.5 5.0

Pure Skyrme model

./eos -set data_dir "../data" -alt-model Skyrme NRAPR \
-point 0.08 0.5 5.0

RMF support is still experimental

./eos -set data_dir "../data" -alt-model RMF SFHo \
-point 0.08 0.5 5.0

For non-RMF models, the code without nuclei also works at T=0

./eos -set data_dir "../data" \
-select-model 470 738 0.5 13.0 62.4 32.8 0.9 -point 0.08 0.5 5.0 -point 0.08 0.5 0.0
./eos -set data_dir "../data" -alt-model Skyrme NRAPR \
-point 0.08 0.5 0.0

Create a small table with derivatives based on an initial guess

Download the initial guess. The file is compared with the SHA256 hash and only downloaded if the current file doesn’t match the hash. The acol command is part of O2scl (one of the crust-dft dependencies). Instead of acol, you can just use, e.g. ‘curl’ to download the file and openssl dgst -sha256 to obtain the hash.

acol -download ../output/fid_3_5_22.o2 \
https://isospin.roam.utk.edu/public_data/eos_tables/du21/fid_3_5_22.o2 \
840f6f171f05081deed53fd8bf50bad1b16a865418c37b1b630817ae10ad6736

Select a random EOS parameterization, create the table, and then compute derivatives and store it in E_table_deriv.o2. This table does not include leptons.

./eos_nuclei -set data_dir "../data" -random \
-set nB_grid_spec "5,0.01*(i+1)" -set Ye_grid_spec "3,0.4+0.01*i" \
-set T_grid_spec "3,5+i" -generate-table \
"ext_guess=../data/fid_3_5_22.o2" -eos-deriv \
-output ../output/E_table_deriv.o2

For more examples see the script files in examples directory.

Build the docker image

To build the docker image themselves, the user can use:

docker build . -t crust-dft:1.0.0

The dockerfile Dockerfile uses a multistage docker build to build a minimal image with the executables eos and ` eos_nuclei in it. The user can build the docker image inside the crust-dft folder themselves using

Calculation Engine

Running the module

To run Crust-DFT module and generate an EOS table without leptons, after either building or downloading the image, the user needs a configuration file config.yaml in the input folder (and a precomputed EOS table file in the data folder, depending on the configuration). For more information about the specifications, see here.

Possible inputs for the module:

output format: format of the output files for Lepton module (either csv or hdf5)
verbose: verbosity parameter for the code.(either 0,1,2)
nB_grid_spec: the function for default baryon density grid. 'N,func(i)',
i takes values from 0-N-1 and func(i) fills up the grid . The user can change the grid length N and the desired function (default: '301,10^(i*0.04-12)*2.0') nB_grid ranges from in \(2.0\times10^{-12}-2~\mathrm{fm^{-3}}\). Values outside this range will be ignored for now. At least N=3 is needed to compute derivatives.
Ye_grid_spec: the function for default electron fraction grid. 'N,func(i)',
i takes values from 0-N-1 and func(i) fills up the grid. The user can change the grid length N and the desired function (default: '70,0.01*(i+1)'). Ye_grid ranges from in \(1.0\times10^{-2}-0.7\). Values outside this range will be ignored for now. At least N=3 is needed to compute derivatives.
select_model: EOS parameter sets from Du et al. (2022)
P_FIDUCIAL="470 738 0.5 13.0 62.4 32.8 0.9" P_LARGE_MMAX="783 738 0.5 13.0 62.4 32.8 0.9" P_SMALL_R="214 738 0.5 13.0 62.4 32.8 0.9" P_SMALLER_R="256 738 0.5 13.0 62.4 32.8 0.9" P_LARGE_R="0 738 0.5 13.0 62.4 32.8 0.9" P_SMALL_SL="470 738 0.5 13.0 23.7 29.5 0.9" P_LARGE_SL="470 738 0.5 13.0 100.0 36.0 0.9" Use one of the EOS parameterization e.g. '470 738 0.5 13.0 62.4 32.8 0.9'.
generate_table: boolean, if true, generate EOS tables instead of interpolating precalculated ones.
ext_guess: boolean, only valid when generate_table is true. Use a downloaded EOS table as
initial guess when producing new EOS table. This makes the process of generating new tables faster. The user can choose to not use an external guess but the time to generate new EOS table with a dense nB and Ye grid can take up a lot of time.

An example of the config.yaml can be found here or in the schemas. To generate a config.yaml, run the yaml_generator.py in the src folder like:

python3 yaml_generator.py \
            --generate_table false \
            --ext_guess false \
            --output_format CSV \
            --nB_grid_spec "3,0.01*(i+1)" \
            --Ye_grid_spec "3,0.4+0.01*i"

Next, download an EOS table and copy it to the data/ folder as EOS_table.o2 if you have either generate_table set to false or ext_guess set to true in your config.yaml. Since the code needs to read the table to either interpolate or use an initial guess to create an output with the MUSES standard. The tables and their contents are explained in developer guide. The user is encouraged to match the model in select_model and the EOS table (e.g. fiducial model select_model "470 738 0.5 13.0 62.4 32.8 0.9" with fid_3_5_22.o2 or fid_nolep_noderiv_3_4.o2).

curl https://isospin.roam.utk.edu/public_data/eos_tables/du21/fid_3_5_22.o2 --output data/EOS_table.o2

The user can run docker_run_mount.sh script locally inside the test folder to mount the local input, output and data folders inside the crust-dft folder to the container and run the executable eos_nuclei inside the container with default configuration that creates the crust-dft output for lepton module in the output folder in csv format.

bash ../test/docker_run_mount.sh

This grabs the config.yaml file, validates it, runs the crust-dft code with the validated configuration and afterwards post-processes the output using muses-porter.

Creating a user specific config.yaml is similar inside the container as well. Finally, run run_utk_for_lepton.sh script inside the test folder using

cd ../test \
bash run_utk_for_lepton.sh

to validate the config.yaml, generate an output file from the user-specified configuration and post-process the file in the specified format in the output directory.

The output crust_dft.csv in the output folder contains

temperature, muB, muS, muQ, vector_density, total_S_density, total_Q_density, energy, pressure, entropy

with units:

MeV, MeV, MeV, MeV, fm-3, fm-3, fm-3, MeV/fm3, MeV/fm3, fm^-3

The rest mass contribution is taken into account when computing these quantities. See schemas for more information.

To generate the full EOS to be used by lepton module, The user can download an EOS table and interpolate to get near zero temperature results. Here the EOS model is loaded from the table.

python3 yaml_generator.py \
            --generate_table false \
            --ext_guess false \
            --output_format CSV \
            --nB_grid_spec "301,10^(i*0.04-12)*2.0" \
            --Ye_grid_spec "70,0.01*(i+1)"

Otherwise, if the user wants to generate an EOS table instead of interpolating, they need to provide and EOS model. The user can still use the relevant EOS table as an initial guess

python3 yaml_generator.py \
    --select_model "470 738 0.5 13.0 62.4 32.8 0.9" \
            --generate_table true \
            --ext_guess true \
            --output_format CSV \
            --nB_grid_spec "301,10^(i*0.04-12)*2.0" \
            --Ye_grid_spec "70,0.01*(i+1)"

Finally, if the user wants to generate table from scratch, without using an initial guess, use

python3 yaml_generator.py \
    --select_model "470 738 0.5 13.0 62.4 32.8 0.9" \
            --generate_table true \
            --ext_guess false \
            --output_format CSV \
            --nB_grid_spec "301,10^(i*0.04-12)*2.0" \
            --Ye_grid_spec "70,0.01*(i+1)"

More functions will be added later.