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> >
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