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 <oru...@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" <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 >> >> > _______________________________________________ > 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 > >
_______________________________________________ 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