1492890 : Error to run FDMNES calculation¶
Created: 2025-04-08T08:56:25Z - current status: new¶
Anonymized Summary¶
Issue: A user is unable to run FDMNES calculations on the Maxwell cluster using the 2024 version. The error message indicates a permission denied issue with the mpirun executable.
Error Message:
/opt/xray/fdmnes_2024_04_16/mpirun_fdmnes: line 5: /opt/xray/fdmnes_2024_04_16/mpirt/bin/intel64/mpirun: Permission denied
Batch Script:
The user provided a batch script for running the FDMNES calculations. The script loads the FDMNES module and attempts to run the mpirun_fdmnes command.
Possible Solution¶
-
Check Permissions: Ensure that the user has the necessary permissions to execute the
mpirunbinary. The user might need to contact the system administrator to grant the appropriate permissions. -
Update Documentation: The user mentioned that the latest version of FDMNES is not updated in the documentation. It might be helpful to update the documentation to reflect the latest version and any changes in the usage instructions.
-
Review Batch Script: Verify that the batch script is correctly configured to run the FDMNES calculations. Ensure that the module is loaded correctly and that the
mpirun_fdmnescommand is executed with the correct parameters. -
Contact Support: If the issue persists, the user should contact the support team at maxwell.service@desy.de for further assistance.