[phenixbb] "nproc" in phenix.refine

Jonathan Elegheert jonathan.elegheert at ugent.be
Wed Nov 30 04:22:15 PST 2011

Dear all,

I have a question regarding the "nproc" parameter in phenix.refine;

We have the software installed on our university HPC cluster, which has nodes built up of 8 processors each. Submission works via a queuing system ("qsub"). I understand that compiling with OpenMP renders the nproc parameter disfunctional. Does this then imply that I will be limited to 1 node (8 processors) if compiled without OpenMP, since there is no "message passing" to other nodes? Or is there a way to make use of more of the available nodes, for example by compiling with OpenMP and then specifying many nodes with 1 processor?

Best regards,

Jonathan Elegheert
PhD Student

Unit for Structural Biology & Biophysics
Ghent University

jonathan.elegheert at ugent.be

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