README.md

AMBS

Atmopsheric Machine learning Benchmarking System (AMBS) aims to provide state-of-the-art video prediction methods applied to the meteorological domain. In the scope of the current application, the hourly evolution of the 2m temperature over a used-defined region is the target application. Different Deep Learning video prediction architectures such as convLSTM, MCnet or SAVP are trained with ERA5 reanalysis to perform a 10 hour prediction based on the previous 10 hours. In addition to the 2m temperature, additional meteorological variables like the mean sealevel pressure and the 500 hPa geopotential are fed to the underlying neural networks in order to enhance the model's capability to capture the atmospheric state and its (expected) evolution over time.

The project is currently developed by Amirpasha Mozafarri, Michael Langguth, Bing Gong and Scarlet Stadtler.

Prerequisites

• Linux or macOS
• Python 3
• CPU or NVIDIA GPU + CUDA CuDNN
• MPI
• Tensorflow 1.13.1 or CUDA-enabled NVIDIA TensorFlow 1.15 within a singularity container (on Juwels Booster)

Installation

Clone this repo by typing the following command in your personal target dirctory:

git clone https://gitlab.version.fz-juelich.de/toar/ambs.git

This will create a directory called ambs under which this README-file and two subdirectories are placed. The subdirectory [...]/ambs/test/ contains unittest-scripts for the workflow and is therefore of minor relevance for non-developers. The subdirectory [...]/ambs/video_prediction_tools contains everything which is needed in the workflow and is therefore called the top-level directory in the following.

Thus, change into this subdirectory after cloning:

cd ambs/video_preditcion_tools/

Set-up environment on Jülich's HPC systems or other computing systems

The following commands will setup a customized virtual environment either on a known HPC-system (Juwels, Juwels Booster or HDF-ML) or on a generalized computing system (e.g. zam347 or your personal computer). The script create_env.sh automatically detects on which machine it is executed and loads/installs all required Python (binary) modules and packages. The virtual environment is set up in the top-level directory ([...]/video_prediction_tools) under a subdirectory which gets the name of the virtual environment.

cd env_setup
source create_env.sh <env_name> 

Run the workflow

Depending on the computing system you are working on, the workflow steps will be invoked by dedicated runscripts either from the directory HPC_scripts/ (on known HPC-systems, see above) or from the directory nonHPC_scripts/ (else).
Each runscript can be set up conveniently with the help of the Python-script generate_runscript.py. Its usage as well the workflow runscripts are described subsequently.

Preparation

Change to the directory config_runscripts where the above mentioned runscript-generator script can be found.

cd config_runscripts

Before customized workflow runscripts can be set up properly, the templates have to be adjusted with the help of the script setup_runscript_templates.sh. This script creates a bundle of user-defined templates under HPC_scripts/ and nonHPC_scripts/ from which the target base directory can be retrieved. This is the directory where the preprocessed data, the trained model and the postprocessing products will be saved and thus, it should be placed on a dic with sufficient memory capacity. The path to this place is passed as an argument to the setup-script.

source setup_runscript_templates.sh <base_target_dir>

If called without script arguments, the default directory on the Jülich Storage Cluster (JUST) is set up, that is /p/project/deepacf/deeprain/video_prediction_shared_folder/.

Create specific runscripts

Specific runscripts for each workfow substep (see below) are generated conventiently by keyboard interaction. The respective Python-script thereby has to be executed in an activated virtual environment (see above)! After prompting

python generate_runscript.py

you will be asked first which workflow runscript shall be generated. The short name for the respective workflow steps are given below. The subsequent keyboard interactions allow then the user to make individual settings to the workflow step at hand. Note that the runscript creation of later workflow substeps depends on the preceding steps (i.e. by checking the arguments from keyboard interaction). Thus, they should be created sequentially instead of all at once at the beginning.

Running the workflow substeps

Having created the runscript by keyboard interaction, the workflow substeps can be run sequentially. Depending on the machine you are working on, change either to HPC_scripts/ (on Juwels, Juwels Booster or HDF-ML) or to nonHPC347_scripts/. There, the respective runscripts for all steps of the workflow are located whose order is as follows. Note that [sbatch] only has to precede on one of the HPC systems. Besides data extraction and preprocessing step 1 are onyl mandatory when ERA5 data is subject to the application.

1. Data Extraction: Retrieve ERA5 reanalysis data for one year. For multiple years, execute the runscript sequentially.

[sbatch] ./data_extraction_era5.sh

2. Data Preprocessing: Crop the ERA 5-data (multiple years possible) to the region of interest (preprocesing step 1), The TFrecord-files which are fed to the trained model (next workflow step) are created afterwards. This is also the place where other datasets such as the MovingMNIST (link?) can be prepared.
   Thus, two cases exist at this stage:
   1. ERA 5 data:

   [sbatch] ./preprocess_data_era5_step1.sh
   [sbatch] ./preprocess_data_era5_step2.sh

   2. MovingMNIST data:

[sbatch] ./preprocess_data_moving_mnist.sh

3. Training: Training of one of the available models with the preprocessed data. Note that the exp_id is generated automatically when running generate_runscript.py. ***ERA 5 data:
   

[sbatch] ./train_model_era5_<exp_id>.sh

MovingMNIST data:

[sbatch] ./train_model_moving_mnist_<exp_id>.sh

4. Postprocess: Create some plots and calculate the evaluation metrics for test dataset.

[sbatch] ./visualize_postprocess_era5_<exp_id>.sh

Create additional runscripts

In case that you want to perform experiments with varying configuration (e.g. another set of hyperparameters, but still the same input dataset for training), it is convenient to create individual runscripts from the templates. This can be done with the help of generate_workflow_runscripts.sh.

The first argument <runscript_name> defines the relative path to the template runscript which should be converted to an executable one. Note that only the suffix of the template's name must be passed, e.g. ../HPC_scripts/train_era5 in order to create a runscript for the training substep. The second argument <venv_name> denotes the name of the virtual environment which has to be set up in advance and which should be used by the runscript at hand.

Additional optional arguments can be passed to control the experimental identifier and to set manually the realtive path to the directory where the preprocessed data is stored (used for the training and postprocessing substep). These optional arguments have to follow a naming convention in order to be identified by generate_workflow_runscripts.sh. The experimental identifer can be passed by adding -exp_id=<id>while the path to the preprocessed data requires passing of -exp_dir=<relative_path_to_dir>. Note, that the default value exp1 is used as experimental identifier if the -exp_id=<id> is omitted.

./generate_workflow_runscripts.sh <runscript_name> <venv_name> [-exp_id=<id>] [-exp_dir=<relative_dir_to_path>]

Specific example:

./generate_workflow_runscripts.sh train_model_era5 venv_juwels -exp_id=exp_test -exp_dir=era5-Y2010toY2222M01to12-160x128-2970N1500W-T2_MSL_gph500

Notes for Juwels Booster

The computionally expensive training of the Deep Learning video prediction architectures is supposed to benefit from the Booster module which is installed at JSC in autumn 2020. In order to test the potential speed-up on this state-of-the-art HPC system, optimized for massively parallel workloads, we selected the convLSTM-architecture as a test candidate in the scope of the Juwels Booster Early Access program.

To run the training on the Booster, change to the recent Booster related working branch of this git repository.

git checkout scarlet_issue#031_booster

Currently, there is no system installation of TensorFlow available on Juwels Booster. As an intermediate solution, a singularity container with a CUDA-enabled NVIDIA TensorFlow v1.15 was made available which has to be reflected when setting up the virtual environment and when submiiting the job. The corresponding singularity image file is shared under /p/project/deepacf/deeprain/video_prediction_shared_folder/containers_juwels_booster/ and needs to be linked to the HPC_scripts-directory. If you are not part of the deepacf-project, the singularity file can be accessed alternatively from

cd video_prediction_tools/HPC_scripts
ln -sf /p/project/deepacf/deeprain/video_prediction_shared_folder/containers_juwels_booster/tf-1.15-ofed-venv.sif tf-1.15-ofed-venv.sif 

Before setting up the virtual environment for the workflow, some required modules have to be loaded and an interactive shell has to be spawn within the container.

cd ../env_setup
source modules_train.sh 
cd ../HPC_scripts/
singularity shell tf-1.15-ofed-venv.sif

Now, the virtual environment can be created as usual, i.e. by doing the following steps within the container shell:

cd ../env_setup
source create_env.sh <env_name> [<exp_id>]

This creates a corresponding directory video_prediction_tools/<env_name>.

Note that create_env.sh is system-aware and therefore only creates an executable runscript for the training step, e.g. video_prediction_tools/HPC_scripts/train_model_era5_booster_exp1.sh. Since all other substeps of the workflow are supposed to be performed on other systems so far, the data in-and output directories cannot be determined automatically during the workflow. Thus, the user has to modify the corresponding runscript by adapting manually the script varibales source_dir and destination_dir in line 19+20 of train_model_era5_booster_<exp_id>.sh.

Finally, the training job can be submitted to Juwels Booster after exiting from the cotainer instance by

exit 
cd ../HPC_scripts
salloc --partition=booster --nodes=1 --account=ea_deepacf --time=00:10:00 --reservation  earlyaccess srun  singularity exec --nv tf-1.15-ofed-venv.sif  ./train_model_era5_booster_<exp_id>.sh

Output folder structure and naming convention

The details can be found name_convention

├── ExtractedData
│   ├── [Year]
│   │   ├── [Month]
│   │   │   ├── **/*.netCDF
├── PreprocessedData
│   ├── [Data_name_convention]
│   │   ├── pickle
│   │   │   ├── train
│   │   │   ├── val
│   │   │   ├── test
│   │   ├── tfrecords
│   │   │   ├── train
│   │   │   ├── val
│   │   │   ├── test
├── Models
│   ├── [Data_name_convention]
│   │   ├── [model_name]
│   │   ├── [model_name]
├── Results
│   ├── [Data_name_convention]
│   │   ├── [training_mode]
│   │   │   ├── [source_data_name_convention]
│   │   │   │   ├── [model_name]

Benchmarking architectures:

• convLSTM: paper,code
• Variational Autoencoder:paper
• Stochastic Adversarial Video Prediction (SAVP): paper,code
• Motion and Content Network (MCnet): paper, code

Contact

• Amirpash Mozafarri: a.mozafarri@fz-juelich.de
• Michael Langguth: m.langguth@fz-juelich.de
• Bing Gong: b.gong@fz-juelich.de
• Scarlet Stadtler: s.stadtler@fz-juelich.de