I met a question and I don’t know how to fix this. When I use the command “rapidfire(lpad)” to submit the fireworks job, it tells me that “No such file or directory: ‘vasp’”. But I indeed install the vasp and add the enviroment in the “~/.bashrc”. How should I fix this problem?
Welcome to matsci @Mengfan_Wu!
are you sure your vasp executable is called
vasp and not something like
vasp_std? you should be able to directly run the
vasp_cmd found in your
my_fworker.yaml in your config directory. I’m guessing this will also not work because either vasp is not in your $PATH, or it’s there but is called something else.
It’s unclear if your rapidfire is via a queue or not. If it’s via a queue your job is being executed on a different node than the login node. Is your .bashrc loaded on the compute nodes? Sometimes you need to include commands in your submission script to transfer things like the PATH and other environment variables. A simple test is to output “which vasp” in your submission script to make sure VASP is still properly loaded on the compute nodes.
Thank you so much for your reply!
Get it! Thank you so much for your reply!