[Wien] mpiexec_mpt
Laurence Marks
L-marks at northwestern.edu
Thu Jul 11 16:53:18 CEST 2013
I 99,9% agree with what Peter just said.
According to the man page at
http://techpubs.sgi.com/library/tpl/cgi-bin/getdoc.cgi?coll=linux&db=man&fname=/usr/share/catman/man1/mpiexec_mpt.1.html
(which may be wrong for you), the same global options as mpirun
accepts will work. Therefore just use " mpirun --help" and look for
whatever is the option for file mapping procs to machines on your
system, then change WIEN_MPIRUN in parallel_options.
A word of other advice concerning talking to the sys_admins at your
center. I have found without exception that they expect people to
launch just one mpi task which runs for hours to days. All the
schedulers that I have come across expect this. Wien2k is much smarter
than this, and can exploit the cores much better. Therefore you will
have to "filter" (i.e. in some cases ignore) what you are told if it
is not appropriate. Sometimes this takes more time than anything else!
On Thu, Jul 11, 2013 at 9:41 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at> wrote:
> But I'm afraid, only YOU have access to the specific doku of your system.
>
> As was mentioned before, I would ALWAYS recommend to use mpirun,
> which should be a "standardized wrapper" to the specific mpi-scheduler.
>
> Only, when you mpi does not have mpirun, use the more specific calls.
>
> For your case it seems "trivial:
>
> > *mpiexec_mpt error: -machinefile option not supported.*
>
> the option -machinefile does not exist for mpiexec_mpt
>
> sometimes it is called -hostfile
>
> but you should easily find it out by
>
> man mpiexec_mpt
>
> or mpiexec_mpt --help
>
>
> On 07/11/2013 04:30 PM, Luis Ogando wrote:
>> Dear Oleg Rubel,
>>
>> I agree with you ! This is the reason I asked for hints from someone
>> that uses WIEN with mpiexec_mpt (to save efforts and time).
>> Thank you again !
>> All the best,
>> Luis
>>
>>
>>
>> 2013/7/11 Oleg Rubel <orubel at lakeheadu.ca <mailto:orubel at lakeheadu.ca>>
>>
>> Dear Luis,
>>
>> It looks like the problem is not in Wien2k. I would recommend to
>> make sure that you can get a list of host names correctly before
>> proceeding with wien. There are slight difference between various
>> mpi implementation in a way of passing the host name list.
>>
>> Oleg
>>
>> On 2013-07-11 9:52 AM, "Luis Ogando" <lcodacal at gmail.com
>> <mailto:lcodacal at gmail.com>> wrote:
>>
>> Dear Prof. Marks and Rubel,
>>
>> Many thanks for your kind responses.
>> I am forwarding your messages to the computation center. As
>> soon as I have any reply, I will contact you.
>>
>> I know that they have other wrappers (Intel MPI, for
>> example), but they argue that mpiexec_mpt is the optimized option.
>> I really doubt that this option will succeed, because I am
>> getting the following error message in case.dayfile (bold)
>>
>> ================================================================================
>> Calculating InPwurt15InPzb3 in
>> /home/ice/proj/proj546/ogando/Wien/Calculos/InP/InPwurtInPzb/15camadasWZ+3ZB/InPwurt15InPzb3
>> on r1i0n8 with PID 6433
>> using WIEN2k_12.1 (Release 22/7/2012) in
>> /home/ice/proj/proj546/ogando/RICARDO2/wien/src
>>
>>
>> start (Wed Jul 10 13:29:42 BRT 2013) with lapw0 (150/99 to go)
>>
>> cycle 1 (Wed Jul 10 13:29:42 BRT 2013) (150/99 to go)
>>
>> > lapw0 -grr -p(13:29:42) starting parallel lapw0 at Wed Jul
>> 10 13:29:42 BRT 2013
>> -------- .machine0 : 12 processors
>> *mpiexec_mpt error: -machinefile option not supported.*
>> 0.016u 0.008s 0:00.40 2.5%0+0k 0+176io 0pf+0w
>> error: command
>> /home/ice/proj/proj546/ogando/RICARDO2/wien/src/lapw0para -c
>> lapw0.def failed
>>
>> > stop error
>> ================================================================================
>>
>> Related to -sgi option, I am using -pbs option because PBS
>> is the queueing system. As I said, I works well for parallel
>> execution that uses just one node.
>> Many thanks again,
>> Luis
>>
>>
>>
>> 2013/7/11 Oleg Rubel <orubel at lakeheadu.ca
>> <mailto:orubel at lakeheadu.ca>>
>>
>> Dear Luis,
>>
>> Can you run other MPI codes under SGI scheduler on your
>> cluster? In any case, I would suggest first to try the
>> simplest check
>>
>> mpiexec -n $NSLOTS hostname
>>
>> this is what we use for Wien2k
>>
>> mpiexec -machinefile _HOSTS_ -n _NP_ _EXEC_
>>
>> the next line is also useful to ensure a proper CPU load
>>
>> setenv MV2_ENABLE_AFFINITY 0
>>
>>
>> I hope this will help
>> Oleg
>>
>>
>> On 13-07-11 8:32 AM, Luis Ogando wrote:
>>
>> Dear WIEN2k community,
>>
>> I am trying to use WIEN2k 12.1 in a SGI cluster.
>> When I perform
>> parallel calculations using just "one" node, I can use
>> mpirun and
>> everything goes fine (many thanks to Prof. Marks and his
>> SRC_mpiutil
>> directory).
>> On the other hand, when I want to use more than one
>> node, I have to
>> use mpiexec_mpt and the calculation fails. I also tried
>> the mpirun for
>> more than one node, but this is not the proper way in a
>> SGI system and I
>> did not succeed.
>> Well, I would like to know if anyone has experience
>> in using WIEN2k
>> with mpiexec_mpt and could give me any hint.
>> I can give more information. This is only an
>> initial ask for help.
>> All the best,
>> Luis
>>
>>
>>
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>
> --
>
> P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
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--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi
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