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

Use Block as MPI library #6

Open
dithillobothrium opened this issue Sep 16, 2020 · 1 comment
Open

Use Block as MPI library #6

dithillobothrium opened this issue Sep 16, 2020 · 1 comment

Comments

@dithillobothrium
Copy link

Hello.

I would like to know how would it be better to compile and use StackBLOCK as a MPI library. I could call probably the main function from my project specifying the conf file. But I would like to use external MPI communicators. Is there some example or could you make some advise?

Thanks.

@bogdanoff
Copy link
Collaborator

StackBlock can be compiled as a library (just do make library) and it is used for Molcas interface (see molcas directory). MPI should work, at least it is working with the Block interface. Somehow with StackBlock I used only the openmp parallelization. Maybe threre were some issues with MPI

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

No branches or pull requests

2 participants