Re: [ccp4bb] phaser openmp

2011-11-09 Thread Randy Read
Thanks for pointing out that link. The graph makes the point I was going to mention, i.e. that you notice a big difference in using up to about 4 processors for typical jobs, but after that point the non-parallelisable parts of the code start to dominate and there's less improvement. This is

Re: [ccp4bb] phaser openmp

2011-11-09 Thread Pascal
Le Tue, 8 Nov 2011 16:25:22 -0800, Nat Echols nathaniel.ech...@gmail.com a écrit : On Tue, Nov 8, 2011 at 4:22 PM, Francois Berenger beren...@riken.jp wrote: In the past I have been quite badly surprised by the no-acceleration I gained when using OpenMP with some of my programs... :( You

Re: [ccp4bb] phaser openmp

2011-11-09 Thread Francois Berenger
On 11/09/2011 07:21 PM, Pascal wrote: Le Tue, 8 Nov 2011 16:25:22 -0800, Nat Echolsnathaniel.ech...@gmail.com a écrit : On Tue, Nov 8, 2011 at 4:22 PM, Francois Berengerberen...@riken.jp wrote: In the past I have been quite badly surprised by the no-acceleration I gained when using OpenMP

[ccp4bb] [gsheldr: Re: [ccp4bb] phaser openmp]

2011-11-09 Thread George M. Sheldrick
-- Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 ---BeginMessage--- In my experience, writing efficient multithreaded code is much harder than writing efficient

Re: [ccp4bb] phaser openmp

2011-11-08 Thread Dr G. Bunkoczi
Hi Ed, in the CCP4 distribution, openmp is not enabled by default, and there seems to be no easy way to enable it (i.e. by setting a flag at the configure stage). On the other hand, you can easily create a separate build for phaser that is openmp enabled and use phaser from there. To do this,

Re: [ccp4bb] phaser openmp

2011-11-08 Thread Nat Echols
On Tue, Nov 8, 2011 at 4:22 PM, Francois Berenger beren...@riken.jp wrote: In the past I have been quite badly surprised by the no-acceleration I gained when using OpenMP with some of my programs... :( Amdahl's law is cruel: http://en.wikipedia.org/wiki/Amdahl's_law This is the same reason

Re: [ccp4bb] phaser openmp

2011-11-08 Thread Ed Pozharski
See page 3 of this http://www-structmed.cimr.cam.ac.uk/phaser/ccp4-sw2011.pdf On Wed, 2011-11-09 at 09:22 +0900, Francois Berenger wrote: Hello, How faster is the OpenMP version of Phaser versus number of cores used? In the past I have been quite badly surprised by the no-acceleration