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" <lcoda...@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 <oru...@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 >>> >>> >>> >>> ______________________________**_________________ >>> Wien mailing list >>> w...@zeus.theochem.tuwien.ac.**at <Wien@zeus.theochem.tuwien.ac.at> >>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >>> SEARCH the MAILING-LIST at: http://www.mail-archive.com/** >>> w...@zeus.theochem.tuwien.ac.**at/index.html<http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html> >>> >>> ______________________________**_________________ >> Wien mailing list >> w...@zeus.theochem.tuwien.ac.**at <Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >> SEARCH the MAILING-LIST at: http://www.mail-archive.com/** >> w...@zeus.theochem.tuwien.ac.**at/index.html<http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html> >> > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
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