Sorry, I've never used openmpi On Thu, Aug 7, 2008 at 2:40 PM, Sergio Yanuen Rodriguez <srodriguez at physics.tamu.edu> wrote: > Dear Laurence > > do you still know what were your settings when you were using openmpi? I > am still getting the same errors, maybe I am missing some of the flags or > something. I already recompile openmpi with gcc+ifort but it didn't work. > > Thank you > > Sergio Y. Rodriguez > Physics Department > Texas A&M University > > > >> I don't think just changing mpif90 to ifort from gfortran (which might >> be what you did) will work, you probably need to compile with ifort. >> >> For reference, I believe that for whatever reason you are not finding >> the mpi_init etc routines in openmpi. This probably has to do with the >> wrong number of "_" added at the end of the subroutine names. I have >> used mpich1 in the past compiled with gcc+ifort (icc+ifort is >> problematic) and currently use mvapich which seems to be better. >> >> On Fri, Aug 1, 2008 at 6:25 PM, Sergio Yanuen Rodriguez >> <srodriguez at physics.tamu.edu> wrote: >>> Dear Laurence >>> >>> Thanks for your suggestion the mpif90 was configured for gfortran >>> instead >>> of ifort, I already fixed that, but the same errors keep appearing. >>> >>> Also I want to ask you what are you using mpich1? Maybe I need to >>> switch >>> from openmpi to mpich. >>> >>> Thanks for your help >>> >>> Sergio Y. Rodriguez >>> Physics Department >>> Texas A&M Unversity >>> >>>> You have "some" incompatibiltiy between your openmpi libraries and >>>> your compilation. A suggestion, which may (or not) help. Your openmpi >>>> library is -I/usr/include/openmpi/1.2.4-gcc which implies that it was >>>> compiled with gcc not ifort. What mpif90 are you using, one that calls >>>> ifort or gfortran? >>>> >>>> The options I use are (not openmpi though) >>>> FOPT = -FR -opt-mem-bandwidth2 -mp1 -prec_div -r8 -pc80 -fpconstant >>>> -traceback -pad -align -O3 -ipo1 -xT -DINTEL_VML -thread -i-static >>>> -fminshared >>>> FPOPT = -FR -opt-mem-bandwidth2 -mp1 -prec_div -r8 -pc80 -fpconstant >>>> -traceback -pad -align -O3 -ipo1 -xT -DINTEL_VML -i-static -fminshared >>>> DParallel = '-DParallel' >>>> FGEN = $(PARALLEL) >>>> LDFLAGS = $(FOPT) -L/opt/intel/mkl/10.0.2.018/lib/em64t >>>> LDFLAGS = -L/opt/intel/mkl/10.0.3.020/lib/em64t >>>> R_LIBS = $(FOPT) -lmkl_lapack -lmkl_em64t -lmkl_core -liomp5 -pthread >>>> -static >>>> C_LIBS = $(R_LIBS) >>>> RP_LIBS = $(FPOPT) -lmkl_intel_lp64 -lmkl_scalapack_lp64 >>>> -lmkl_blacs_lp64 -lmkl_sequential -lmkl_core -liomp5 -pthread >>>> -i-static >>>> >>>> >>>> On Fri, Aug 1, 2008 at 1:41 PM, Sergio Yanuen Rodriguez >>>> <srodriguez at physics.tamu.edu> wrote: >>>>> Dear wien2k users: >>>>> >>>>> I sent a message a few days ago but nobody has responded so far, I am >>>>> trying to compile wien2k in parallel on a intel core quad processor >>>>> with >>>>> fedora 8 and 8 GB in RAM but I am getting some errors. I am able to >>>>> install and run the serial version. In my earlier email I was mixing >>>>> the >>>>> mkl libraries versions 9.X and 10.0.X but I already fix that >>>>> >>>>> My software is: >>>>> >>>>> Kernel version 2.6.25 >>>>> gcc version 4.1.2 >>>>> Intel Fortran compiler 10.1.015 >>>>> Intel MKL 10.0.1.014 >>>>> OpenMPI 1.2.4 >>>>> WIEN2k_08.2 >>>>> >>>>> The compilation options are: >>>>> Current settings: >>>>> O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip >>>>> -DINTEL_VML -O3 -xW >>>>> L Linker Flags: $(FOPT) >>>>> -L/opt/intel/mkl/10.0.1.014/lib/em64t >>>>> -lpthread >>>>> P Preprocessor flags '-DParallel' >>>>> R R_LIB (LAPACK+BLAS): -L/opt/intel/mkl/10.0.1.014/lib/em64t >>>>> -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lguide -lpthread >>>>> >>>>> Current settings: >>>>> RP RP_LIB(SCALAPACK+PBLAS): -L >>>>> /opt/intel/mkl/10.0.1.014/lib/em64t >>>>> -L/usr/lib64/openmpi/1.2.4-gcc -lmkl_intel_lp64 -lmkl_scalapack_lp64 >>>>> -lmkl_blacs_lp64 -lmpi_f90 -lmkl_lapack >>>>> FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip >>>>> -DINTEL_VML -traceback -I/usr/include/openmpi/1.2.4-gcc >>>>> -I/usr/include/openmpi/1.2.4-gcc/64 >>>>> MP MPIRUN commando : mpirun -np _NP_ -machinefile >>>>> >>>>> I am trying to compile lapw0 first and then when this is alright I >>>>> will >>>>> try to compile the whole program, lapw0 compiles something but then >>>>> some >>>>> errors appear, the errors I am getting are: >>>>> >>>>> modules.o: In function `parallel_mp_begend_': >>>>> modules.F:(.text+0x328): undefined reference to `mpi_comm_split_' >>>>> modules.o: In function `parallel_mp_init_parallel_': >>>>> modules.F:(.text+0x447): undefined reference to `mpi_init_' >>>>> modules.F:(.text+0x46b): undefined reference to `mpi_comm_size_' >>>>> modules.F:(.text+0x48f): undefined reference to `mpi_comm_rank_' >>>>> energy.o: In function `energy_': >>>>> energy.F:(.text+0x46db): undefined reference to `mpi_allreduce_' >>>>> energy.F:(.text+0x470d): undefined reference to `mpi_allreduce_' >>>>> gtfnam.o: In function `gtfnam_': >>>>> gtfnam.F:(.text+0x65): undefined reference to `mpi_bcast_' >>>>> gtfnam.F:(.text+0x8f): undefined reference to `mpi_bcast_' >>>>> lapw0.o: In function `MAIN__': >>>>> lapw0.F:(.text+0xa77): undefined reference to `mpi_abort_' >>>>> lapw0.F:(.text+0x7d89): undefined reference to `mpi_reduce_' >>>>> lapw0.F:(.text+0x7e33): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0x93ce): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0xb1e1): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0xb67b): undefined reference to `mpi_barrier_' >>>>> lapw0.F:(.text+0xb687): undefined reference to `mpi_finalize_' >>>>> lapw0.F:(.text+0xb770): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0xdfba): undefined reference to `mpi_allreduce_' >>>>> lapw0.F:(.text+0x11002): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0x11d31): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0x11dcd): undefined reference to `mpi_address_' >>>>> lapw0.F:(.text+0x11df4): undefined reference to `mpi_address_' >>>>> lapw0.F:(.text+0x11e1b): undefined reference to `mpi_address_' >>>>> lapw0.F:(.text+0x11e42): undefined reference to `mpi_address_' >>>>> lapw0.F:(.text+0x11e69): undefined reference to `mpi_address_' >>>>> lapw0.o:lapw0.F:(.text+0x11e90): more undefined references to >>>>> `mpi_address_' follow >>>>> lapw0.o: In function `MAIN__': >>>>> lapw0.F:(.text+0x120ce): undefined reference to `mpi_type_struct_' >>>>> lapw0.F:(.text+0x120e1): undefined reference to `mpi_type_commit_' >>>>> lapw0.F:(.text+0x1218b): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0x121d7): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0x12234): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0x12280): undefined reference to `mpi_send_' >>>>> lapw0.F:(.text+0x122dd): undefined reference to `mpi_send_' >>>>> lapw0.o:lapw0.F:(.text+0x12329): more undefined references to >>>>> `mpi_send_' >>>>> follow >>>>> lapw0.o: In function `MAIN__': >>>>> lapw0.F:(.text+0x12538): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0x1258b): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0x125ef): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0x12642): undefined reference to `mpi_recv_' >>>>> lapw0.F:(.text+0x126a6): undefined reference to `mpi_recv_' >>>>> lapw0.o:lapw0.F:(.text+0x126f9): more undefined references to >>>>> `mpi_recv_' >>>>> follow >>>>> rean0.o: In function `rean0_': >>>>> rean0.F:(.text+0x14d3): undefined reference to `mpi_allreduce_' >>>>> make[1]: *** [lapw0_mpi] Error 1 >>>>> make[1]: Leaving directory `/root/WIEN/SRC_lapw0' >>>>> make: *** [para] Error 2 >>>>> >>>>> Any help is greatly appreciated >>>>> >>>>> Sergio Y. Rodriguez >>>>> Physics Department >>>>> Texas A&M University >>>>> >>>>> >>>>> >>>>> >>>>> >>>>> _______________________________________________ >>>>> Wien mailing list >>>>> Wien at zeus.theochem.tuwien.ac.at >>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>>>> >>>> >>>> >>>> >>>> -- >>>> Laurence Marks >>>> Department of Materials Science and Engineering >>>> MSE Rm 2036 Cook Hall >>>> 2220 N Campus Drive >>>> Northwestern University >>>> Evanston, IL 60208, USA >>>> Tel: (847) 491-3996 Fax: (847) 491-7820 >>>> email: L-marks at northwestern dot edu >>>> Web: www.numis.northwestern.edu >>>> Commission on Electron Diffraction of IUCR >>>> www.numis.northwestern.edu/IUCR_CED >>>> _______________________________________________ >>>> Wien mailing list >>>> Wien at zeus.theochem.tuwien.ac.at >>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>>> >>>> >>> >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>> >> >> >> >> -- >> Laurence Marks >> Department of Materials Science and Engineering >> MSE Rm 2036 Cook Hall >> 2220 N Campus Drive >> Northwestern University >> Evanston, IL 60208, USA >> Tel: (847) 491-3996 Fax: (847) 491-7820 >> email: L-marks at northwestern dot edu >> Web: www.numis.northwestern.edu >> Commission on Electron Diffraction of IUCR >> www.numis.northwestern.edu/IUCR_CED >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> >> > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >
-- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Commission on Electron Diffraction of IUCR www.numis.northwestern.edu/IUCR_CED