Submit Moldex3D Job to SLURM via Computing Manager

Prequisites:

1.Use the following command to set MDX_2022_BIN environment variable

•echo “export MDX_2022_BIN=/opt/Moldex3D/2022/x64/Bin/” >> /home/peter/.bashrc

Step 1: Start Computing Manager and click “New…” button to add Linux Server

Step 2: Change “Scheduler” to “SLURM”. Fill in “IP/Hostname”, “Port”, “Account”, “Password”, “LM IP/Hostname”, “LM Port” and click “OK” button. Computing Manager uses SSH protocol to connect to Linux Server. The default port for SSH client connections is 22.

Step 3: Select target “Server IP/Hostname” and click “Connect” button.

Step 4: Open the project by Moldex3D Studio on Windows (For example: The project is located at D:\MDX_WorkingFolder\Gear)

Step 5: Select Computing Manager

Step 6: Confirm the number of task used in Batch Job Creating List. Click “Submit” button in Batch Job Creating List to upload job.

Step 7: When “Finished” is shown in the target job “Status”, select the job and click “Download” to download the result.