Hi
modeller is not running parallel. The only way to take advantage of multiple processors is to run parallel modeller jobs. It is useful if you need to calculate many models for a protein, let say, with various alignments, or with various templates. Running multiple modeller jobs is particularly useful if you do loop modeling, since you need to generate numerous models before you select the one with the lowest energy. Pay attention that in this case you need to change the RAND_SEED, which is responsible for random number generation, otherwise you get identical models.
best wishes,
Andras
------ Forwarded Message From: Douglas Kojetin djkojeti@unity.ncsu.edu Date: Sun, 05 May 2002 23:13:47 -0400 To: modeller_usage@salilab.org Subject: using modeller w/ multiple CPUs
Hi-
Does anyone know if MODELLER can take advantage of a multiple CPU system? If so, how to set it up?
Many thanks, Doug Kojetin
Thanks for your reply-
In using both processors for multiple jobs -- would executing the "mod" command in two separate terminals efficiently use the processors? Or do you have to use a fancy script/command to have one job use processor one, and the other use processor two (or multiples thereof)?
Many thanks for your help, Doug Kojetin
> Hi > > > modeller is not running parallel. The only way to take advantage of > multiple processors is to run parallel modeller jobs. It is useful if > you need to calculate many models for a protein, let say, with various > alignments, or with various templates. Running multiple modeller jobs is > particularly useful if you do loop modeling, since you need to generate > numerous models before you select the one with the lowest energy. > Pay attention that in this case you need to change the RAND_SEED, which > is responsible for random number generation, otherwise you get identical > models. > > best wishes, > > Andras > > > > > ------ Forwarded Message > From: Douglas Kojetin djkojeti@unity.ncsu.edu > Date: Sun, 05 May 2002 23:13:47 -0400 > To: modeller_usage@salilab.org > Subject: using modeller w/ multiple CPUs > > Hi- > > Does anyone know if MODELLER can take advantage of a multiple CPU > system? If so, how to set it up? > > Many thanks, > Doug Kojetin > > > -- > , > Andras Fiser, PhD # phone: (212) 327 7216 > The Rockefeller University # fax: (212) 327 7540 > Box 270, 1230 York Avenue # e-mail:fisera@rockefeller.edu > New York, NY 10021-6399, USA # http://salilab.org/~andras >
Hi,
You don't need a script to split the jobs on one machine. I used it on a two processor PIII Linux running Rad Hat and it was decided by the machine how to use the CPUs: load was always balanced depending on the total number/load of other jobs. Ursula Pieper probably knows much more about this.
Thanks, Bozidar
On Tue, 7 May 2002, Doug Kojetin wrote:
> Thanks for your reply- > > In using both processors for multiple jobs -- would executing the > "mod" command in two separate terminals efficiently use the > processors? Or do you have to use a fancy script/command to have one > job use processor one, and the other use processor two (or multiples > thereof)? > > Many thanks for your help, > Doug Kojetin > > > > > Hi > > > > > > modeller is not running parallel. The only way to take advantage of > > multiple processors is to run parallel modeller jobs. It is useful > if > > you need to calculate many models for a protein, let say, with > various > > alignments, or with various templates. Running multiple modeller > jobs is > > particularly useful if you do loop modeling, since you need to > generate > > numerous models before you select the one with the lowest energy. > > Pay attention that in this case you need to change the RAND_SEED, > which > > is responsible for random number generation, otherwise you get > identical > > models. > > > > best wishes, > > > > Andras > > > > > > > > > > ------ Forwarded Message > > From: Douglas Kojetin djkojeti@unity.ncsu.edu > > Date: Sun, 05 May 2002 23:13:47 -0400 > > To: modeller_usage@salilab.org > > Subject: using modeller w/ multiple CPUs > > > > Hi- > > > > Does anyone know if MODELLER can take advantage of a multiple CPU > > system? If so, how to set it up? > > > > Many thanks, > > Doug Kojetin > > > > > > -- > > , > > Andras Fiser, PhD # phone: (212) 327 7216 > > The Rockefeller University # fax: (212) 327 7540 > > Box 270, 1230 York Avenue # e-mail:fisera@rockefeller.edu > > New York, NY 10021-6399, USA # http://salilab.org/~andras > > >
participants (3)
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Andras Fiser
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Bozidar Yerkovich
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Doug Kojetin