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ThetaGPU

Installation

To install DeepHyper on ThetaGPU, once logged on the Theta system, execute the following commands (replace the $PROJECT_NAME with the name of your project allocation, e-g: -A datascience). Clone the repository:

$ git clone https://github.com/deephyper/quickstart.git deephyper-quickstart

Move to the thetagpu folder:

$ cd deephyper-quickstart/sites/ALCF/thetagpu/

Create the build folder ; this is where the conda environment will be installed:

$ mkdir build && cd build

Submit a job to trigger the installation process:

$ qsub-gpu -A $PROJECT_NAME ../install/install.sh

This will submit a job on ThetaGPU, wait for it to finish (you can follow the installation with the install.* cobaltlog files which will be created in the current build/ folder).

Execution

To execute the search, first locate yourself in sites/ALCF/thetagpu/src/ :

$ cd sites/ALCF/thetagpu/src/

You then simply have to submit the job-script.sh script (again replace the $PROJECT_NAME with the name of your project allocation, e-g: -A datascience):

$ qsub-gpu -A $PROJECT_NAME job-script.sh