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Although the individual programs are not parallelized, there are a number of people who have used CCP4 programs on clusters -- notably for molecular replacement, where each candidate structure on a rather long list is refined to see if it is a solution. Any problem like this one, or computation of multiple omit maps, can be set up on a cluster by writing a shell script to distribute the individual cases over the available processors. This is often called "coarse-grained parallelism" and is very useful now that computer time is so much cheaper than human time. Best regards, Lynn Ten Eyck On 10/16/06 3:21 PM, "[EMAIL PROTECTED]" <[EMAIL PROTECTED]> wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Thank you for your replies. To answer your questions, by "parallel CCP4" I > mean > a CCP4 code that has been parallelized and thus can run a single process on a > number of processors (through LAM, MPI, etc.). > > For reference, according to the members of this board such code has not been > developed (and released) as of yet, so either the version running in Oxford I > heard about has been tweaked by end-users or, as some of you suggested, it was > in fact a misconception from the beginning. > > Thank you once again. > > J. Valencia > > > > Quoting [EMAIL PROTECTED]: > >> *** For details on how to be removed from this list visit the *** >> *** CCP4 home page http://www.ccp4.ac.uk *** >> >> >> Hello everyone, >> >> I am trying figure out if it is possible to run CCP4 on a cluster, but I keep >> finding contradicting answers, from previous posts on this board suggesting >> there are just no parallel crystallography programs, to Ronan's CCP4 page >> discussing parallel programing, and even a colleague's claims of having run a >> parallel version of CCP4 on a Linux cluster called "Synapse" at the >> University >> of Oxford. >> >> Could someone please settle this issue? >> >> Best regards, >> >> J. Valencia >> >> ---------------------------------------------------------------- >> Este mensaje fue enviado desde el servidor Webmail del Instituto de >> Biotecnologia. > > ---------------------------------------------------------------- > Este mensaje fue enviado desde el servidor Webmail del Instituto de > Biotecnologia. -- Lynn F. Ten Eyck [EMAIL PROTECTED] San Diego Supercomputer Center 0505 (858) 534-5141 (Voice) University of California, San Diego (858) 822-3610 (Fax) 9500 Gilman Drive Office: 3131 CalIT2 La Jolla, CA 92093-0505
