Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-20 Thread Tom Oldfield
Hi If any use: I have commonly used the C/C++ and Java threaded code to create parallel processes. Python threading is badly implemented and best avoided, use sub-processes instead as these are forked. 1) CPU intensive code with no dependency scales close to N where N cores available, for

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-18 Thread Marcin Wojdyr
On Tue, Dec 17, 2013 at 03:32:52PM +, Adam Ralph wrote: Dear Chang, Some CCP4 progs can be used with a multi-core machine, using OpenMP threads (including refmac it would appear). You will I think only phaser and aimless. Of course using 4 cores doesn't mean running 4 times faster

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-18 Thread George Sheldrick
Adapting programs to make optimal use of modern multicore chips is non-trivial and depends very much on the algorithms employed, there is no magic bullet. First one needs to understand Amdahl's law. Assume we have a chip with four cores such as the widely used Intel i7, amd the program consists

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-17 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Chang, this is hardly a matter of configuration but a question of programming (meaning you cannot change it unless you modify the source code and recompile). You can run a program of which you know it is parallelised, e.g. XDS, shelxl, shelxd,

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-17 Thread Chang Qing
Thanks so much. XDS program is a very good example for multi-core cpu processing. I love it. I also have a macbook. Though a notebook, it often runs CCP4 program more quickly than on desktop computer. The programs, for example refmac5, seem to use multi-core on OSX and single core on linux. Is

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-17 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Chang, Without being aware of the various means to parallelise a computer program I would be surprised if refmac5 was parallelised for MacOSX but not for Linux, although I am sure Garib would correct me if I was wrong. Maybe you only have the

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-17 Thread Chang Qing
Dear Tim Yes, it is just my impression. I don't know how to test it. As now most of computers have multi-core CPU, I really hope CCP4 programs can be paralleled. Thank you so much for answering my questions. All my best Chang 2013/12/17 Tim Gruene t...@shelx.uni-ac.gwdg.de -BEGIN PGP

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-17 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Chang, some time back people would benefit from the computational time (or e.g. data collection time) to get a coffee, lean back and think about what was going on - this was often very efficient and not rarely more effective than the false

Re: [ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-17 Thread Adam Ralph
Dear Chang, Some CCP4 progs can be used with a multi-core machine, using OpenMP threads (including refmac it would appear). You will need to compile the code from source rather than taking the binary versions, which is much less convenient. Even if the CCP4 apps are not parallel

[ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-16 Thread Chang Qing
Dear all I just installed CCP4 6.4 on Ubuntu 12.1. The program can work. I found it just used 1 processor instead of 4( Intel i5) for data solving. Does anyone know how to config CPU so that all processors can be used. Thanks Chang

[ccp4bb] How to config CPU to run ccp4 with multi-processor

2013-12-16 Thread Chang Qing
Dear all I just installed CCP4 6.4 on Ubuntu 12.1. The program can work. I found it just used 1 processor instead of 4( Intel i5) for data solving. Does anyone know how to config CPU so that all processors can be used. Thanks Chang