Re: [PyMOL] Ray tracing max_threads

[Thomas Holder]

Hi all,

Quick summary after off-line discussion with Jesper: The max of 32 threads was 
hard coded in PyMOL. The latest SVN update increases this limit to 125.

If you ever need a higher limit, look for PYMOL_MAX_THREADS in the code.

Cheers,
  Thomas

On 22 Jan 2016, at 03:27, Jesper Lykkegaard Karlsen  wrote:

> Hi,
> 
> I am doing some heavy duty ray tracing in PyMOL.
> 
> I realize spreading the job over multiple nodes in a PBS requires MPI 
> integration in PyMOL, but this is run on a single machine with 36 
> physical CPU cores and 72 logical threads.
> Although, during PyMOL ray tracing CPU usage maxes-out at 32 treads.
> 
> I have even tried setting max_treads to 72, but PyMOL refuses to use any 
> more than 32 threads.
> 
> Why this limitation? and is the a way to overcome it?
> 
> Thanks
> 
> Jesper
> 
> -- 
> Jesper Lykkegaard Karlsen
> Scientific Computing
> Centre for Structural Biology
> Department of Molecular Biology and Genetics
> Aarhus University
> Gustav Wieds Vej 10C
> 8000 Aarhus C
> 
> E-mail: je...@mbg.au.dk

-- 
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.


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[PyMOL] Ray tracing max_threads

[Jesper Lykkegaard Karlsen]

Hi,

I am doing some heavy duty ray tracing in PyMOL.

I realize spreading the job over multiple nodes in a PBS requires MPI 
integration in PyMOL, but this is run on a single machine with 36 
physical CPU cores and 72 logical threads.
Although, during PyMOL ray tracing CPU usage maxes-out at 32 treads.

I have even tried setting max_treads to 72, but PyMOL refuses to use any 
more than 32 threads.

Why this limitation? and is the a way to overcome it?

Thanks

Jesper

-- 
Jesper Lykkegaard Karlsen
Scientific Computing
Centre for Structural Biology
Department of Molecular Biology and Genetics
Aarhus University
Gustav Wieds Vej 10C
8000 Aarhus C

E-mail: je...@mbg.au.dk


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