Vasp_cmd of ibrun not handled properly

[jamesgil54]

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System: TACC Stampede2 HPC (SLURM)

• Custodian version: 2023.3.10
• Python version: 3.9.16
• OS version: 7 (Core)

Summary

• the vasp_cmd parameter for VASP atomate workflows in SLURM systems cannot properly handle the output syntax, vasp_std > my_vasp.out, which is frequently used to run vasp manually (ie without atomate) on SLURM systems. The command "ibrun vasp_std>my_vasp.out is translated to:

      “vasp_cmd”: [
      “ibrun”,
      “vasp_std>my_vasp.out”
      ],## Example code
  

This prevents vasp from running. I report this issue also at the Materials Science Community Discourse here

<Example code generating error>

See MP community discourse post linked above!

<Error message>

Suggested solution (if known)

• <If you have a suggestion on how to solve the issue, you may write it here.>

Files

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