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