Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

MetFragCLI using arguments #37

Open
cjhjhj opened this issue May 4, 2020 · 4 comments
Open

MetFragCLI using arguments #37

cjhjhj opened this issue May 4, 2020 · 4 comments

Comments

@cjhjhj
Copy link

@cjhjhj cjhjhj commented May 4, 2020

Hi there,
I am trying to apply MetFragCLI to multiple spectra (> 1,000). The generation and I/O of > 1,000 parameter files may take too much time and computational resources. Could you please let me know any good way of using MetFragCLI with arguments instead of a parameter file?
Thanks.

@schymane
Copy link
Contributor

@schymane schymane commented May 4, 2020

The parameter file is the only way for now due to the complexity of options, the file I/O is not usually the big time limitation, this is rather either at the candidate retrieval stage (depending on database) or fragmentation, not inputs.

@sneumann
Copy link
Member

@sneumann sneumann commented May 5, 2020

One way to speed up parameter file generation would be to create them
in a tempfs RAM disk instead of a real disk or even NFS. Yours, Steffen

@schymane
Copy link
Contributor

@schymane schymane commented May 5, 2020

@MaliRemorker something to ponder - at least whether simple MetFrag settings could be passed direct to the CL at some stage?

@MaliRemorker
Copy link

@MaliRemorker MaliRemorker commented May 5, 2020

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Linked pull requests

Successfully merging a pull request may close this issue.

None yet
4 participants
You can’t perform that action at this time.