Hi, Maybe it's best if a new thread was started with the question asked again. Using the subjects of the previous posts, I can't find the original question. It's hidden somewhere in a thread with a different subject.
Cheers, Edward On 3/30/07, Gary S. Thompson <[EMAIL PROTECTED]> wrote:
Edward d'Auvergne wrote: > Hi, > > relax now operates fine on my machine. > > Cheers, > > Edward > much celebration! do you have any thoughts on the question of grid searches and monte carlo runs and where to impliment them regards gary > > On 3/30/07, Gary S. Thompson <[EMAIL PROTECTED]> wrote: > >> Edward d'Auvergne wrote: >> >> > There were two problems I encountered. The first was the import error >> > when mpi4py is not installed. >> >> there should be no need for this mpi4py should only be loaded when you >> request mpi4py on the command line, the module is loaded on demand. This >> is why modules processor and command have bee created to remove the >> dependencies present in the alpha version of the code between the >> generic multiprocessor objects and mpi4py_processor >> >> > This could possibly be handled by >> > setting a flag in the importing module, printing a RelaxWarning >> > message, and the defaulting to the uniprocessor code. The second >> > problem is that when mpi4py is installed but 'mpirun-lam' is not >> > running, I get the message: >> > >> > [EMAIL PROTECTED] multi_processor]$ ./relax >> > >> ----------------------------------------------------------------------------- >> >> > >> > >> > It seems that there is no lamd running on the host p2800. >> > >> > This indicates that the LAM/MPI runtime environment is not operating. >> > The LAM/MPI runtime environment is necessary for MPI programs to run >> > (the MPI program tired to invoke the "MPI_Init" function). >> > >> > Please run the "lamboot" command the start the LAM/MPI runtime >> > environment. See the LAM/MPI documentation for how to invoke >> > "lamboot" across multiple machines. >> > >> ----------------------------------------------------------------------------- >> >> > >> > [EMAIL PROTECTED] multi_processor]$ >> > >> > This should only happen if the user asks to run in MPI mode, normal >> > relax operation should remain as is. >> > >> indeed everything should remian the same for the uni processor mode >> using either >> >> relax >> or >> relax --multi uni (which is equivalent to the above) >> >> I have now done some updates to give r3249 which should cure these >> problems (and does on all the computers I have) could you give the >> latest revision a try >> >> I have done a check for MPI and mpi4py in all the files in the branch >> and only mpi4py contains these strings now so unless something very >> weird it should all be fixed >> >> regards >> gary >> >> > Cheers, >> > >> > Edward >> > >> > >> > On 3/30/07, gary thompson <[EMAIL PROTECTED]> wrote: >> > >> >> On 3/29/07, Gary S. Thompson <[EMAIL PROTECTED]> wrote: >> >> > Edward d'Auvergne wrote: >> >> [snip] >> >> >> >> > > One >> >> > > question I have is will there be a separate model-free minimise() >> >> > > function for normal and MPI operation? >> >> > >> >> > >> >> > no the non mpi version just calls the uniprocessor processor >> >> > multi.uni_processor. The current uniprocessor implimentation is >> non >> >> > optimal by space on single processor machines but will have the >> same >> >> > overhead by time as any other implimentations (barring the use of >> >> > command cacheing which may save to object creation overhead) >> >> > >> >> > > Another point is that I can't >> >> > > run the code in the branch without having MPI up and running. >> >> > > >> >> > > >> >> > you should be able to run relax without a --multi command line and >> >> > without an mpirun and the uniprocessor implimentations should run. >> >> > However, currently when I run it I get The dependency 'mpi4py' >> has not >> >> > been installed is that the problem you have?? I will investigate >> >> the problem >> >> > >> >> > >> >> correction I have just gone home and run the command on the same >> >> machine remotely and get no messages about dependencies!. if this is >> >> the error you get please tell me. >> >> >> >> Ah revelation (realtime messaging and debugging!) in uni_processor I >> >> am using multi.mpi4py_processor.Result_command which will load the >> >> mpi4py_processor module which will result in load of mpi4py >> (lines 14 >> >> onwards in mpi4py_processor). This is just an oversight due to me >> >> being lazy and winging it while testing corrections on the way ;-) >> >> >> >> >> >> regards >> >> gary >> >> >> >> >> >> > >> obviously there is consdiderable code cleanup and documentation >> >> still >> >> > >> to be done and also implimentation of processors for >> threading and >> >> > >> ssh tunnels >> >> > > >> >> > > >> >> > > The code is shaping up nicely. With a good clean up it should be >> >> > > relatively easy to port to the 1.3 line later on. >> >> > >> >> > yep time to go from alpha to beta, glad you like it >> >> > >> >> > > 1It looks like a >> >> > > great framework for the threading and grid computing via ssh >> >> tunnels. >> >> > > >> >> > indeed thats the intention and design goal ;-) >> >> > >> >> > > Cheers, >> >> > > >> >> > > Edward >> >> > > >> >> > >> >> > regards >> >> > gary >> >> > >> >> > > _______________________________________________ >> >> > > relax (http://nmr-relax.com) >> >> > > >> >> > > This is the relax-devel mailing list >> >> > > [email protected] >> >> > > >> >> > > To unsubscribe from this list, get a password >> >> > > reminder, or change your subscription options, >> >> > > visit the list information page at >> >> > > https://mail.gna.org/listinfo/relax-devel >> >> > > >> >> > > . >> >> > > >> >> > >> >> > >> >> > -- >> >> > ------------------------------------------------------------------- >> >> > Dr Gary Thompson >> >> > Astbury Centre for Structural Molecular Biology, >> >> > University of Leeds, Astbury Building, >> >> > Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 >> >> > email: [EMAIL PROTECTED] Fax +44-113-2331407 >> >> > ------------------------------------------------------------------- >> >> > >> >> > >> >> > >> >> > _______________________________________________ >> >> > relax (http://nmr-relax.com) >> >> > >> >> > This is the relax-devel mailing list >> >> > [email protected] >> >> > >> >> > To unsubscribe from this list, get a password >> >> > reminder, or change your subscription options, >> >> > visit the list information page at >> >> > https://mail.gna.org/listinfo/relax-devel >> >> > >> >> >> > >> > . >> > >> >> >> -- >> ------------------------------------------------------------------- >> Dr Gary Thompson >> Astbury Centre for Structural Molecular Biology, >> University of Leeds, Astbury Building, >> Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 >> email: [EMAIL PROTECTED] Fax +44-113-2331407 >> ------------------------------------------------------------------- >> >> >> > > . > -- ------------------------------------------------------------------- Dr Gary Thompson Astbury Centre for Structural Molecular Biology, University of Leeds, Astbury Building, Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024 email: [EMAIL PROTECTED] Fax +44-113-2331407 -------------------------------------------------------------------
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