[Wien] Wien2k Compilation on AMD Dual Operton under Suse 9.2-64 bit

[Nicholas Dimakis]

Hello
 
  I am new to Wien2k and I have problems on compiling the source code for a dual AMD Opteron system under Suse 9.2
 
  Compiler is intel ifort9, mkl is installed under /opt/intel
 
  Compiler options:        -FR -mp -w
  Linker Flags:            $(FOPT) -L/opt/intel/mkl80/lib/32 -static
  Preprocessor flags       '-DParallel'
  R_LIB (LAPACK+BLAS):     -lmkl_lapack -lmkl_ia32 -lguide -lpthread
 
  I used this info from a previous message on AMD Athlon Wien2k installation.
 
  I get:
 
  ld: warning: i386:x86-64 architecture of input file `cputim.o' is incompatible with i386 output
 
  and I get an error as
 
  ifort -o lapw0 cputim.o modules.o reallocate.o ainv.o blyp.o charg2.o  charg3.o charge.o chfac.o chslv.o  corgga.ocub_xc_back.o corlsd.o dlu.o drho.o  dfxhpbe.o dylm.o  efg.o  energy.o errclr.o errflg.o ev92.o    ev92ex.o exch.o exch17.o exrevpbe.o  fithi.o fxhpbe.o gbass.o gcor.o  gea.o geaex.o  getfft.o  getff1.o gpoint.o  grans.o gtfnam.o hcth.o ifflim.o kcis.o lapw0.o  latgen.o  multfc.o multsu.o outerr.o  pbe1.o poissn.o potfac.o pwxad4.o pwxad5.o  qranf.o readstruct.o rean0.o rean1.o rean3.o  rean4.o  rotate.o  rotdef.o setff0.o  setff1.o  setfft.o setff2.o seval.osevald.o sevaldd.o sevali.o sevalin.o sicpbe.o sphbes.o  spline.o srolyl.o stern.o sumfac.o  suml.o th1.o th2.o vpw91.o   vresp.o vs98.o vxc15.o vxc16.o vxc17.o vxc24.o  vxc26.o  vxclm2.o vxcpw2.o vxi35.o vxi35a.o workf1.o xcener.o xcpot.o  xcpot1.o xcpot3.o ykav.o  ylm.o zfft3d.o sicpbe_tpss.o corpbe_tpss.o fx_tpss.o dfxtpss.o rhopw.o b88.o wc05.o -FR -mp -w -L/opt/intel/mkl80/lib/32 -static
  ld: warning: i386:x86-64 architecture of input file `cputim.o' is incompatible with i386 output
  make[1]: Leaving directory `/home/user1/Wien2k/SRC_lapw0'
  make: *** No rule to make target `complex'.  Stop.
  if [ -f .sequential ]; then \
     rm -f .sequential modules.o reallocate.o energy.o gtfnam.o lapw0.o  *.mod; \
  fi
  touch .parallel
  make PARALLEL='-DParallel' lapw0_mpi \
    FORT=ifort FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML '-DParallel''
  make[1]: Entering directory `/home/user1/Wien2k/SRC_lapw0'
  ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DParallel -c modules.F
  fortcom: Error: modules.F, line 19: Cannot open include file 'mpif.h'
      INCLUDE 'mpif.h'
  ------------^
  fortcom: Error: modules.F, line 42: Cannot open include file 'mpif.h'
      INCLUDE 'mpif.h'
  ------------^
  fortcom: Error: modules.F, line 20: This name does not have a type, and must have an explicit type.   [MPI_STATUS_SIZE]
      ALLOCATE(statusmpi(MPI_STATUS_SIZE))
  -----------------------^
  fortcom: Error: modules.F, line 20: The highest data type rank permitted is INTEGER(KIND=8).   [MPI_STATUS_SIZE]
      ALLOCATE(statusmpi(MPI_STATUS_SIZE))
  -----------------------^
  fortcom: Error: modules.F, line 22: This name does not have a type, and must have an explicit type.   [MPI_SUCCESS]
      IF(ierr.NE.MPI_SUCCESS) THEN
  ---------------^
  fortcom: Error: modules.F, line 26: This name does not have a type, and must have an explicit type.   [MPI_COMM_WORLD]
      CALL MPI_COMM_SIZE( MPI_COMM_WORLD, npe, ierr)
  ------------------------^
  fortcom: Error: modules.F, line 44: This name does not have a type, and must have an explicit type.   [MPI_UNDEFINED]
      icolor1=MPI_UNDEFINED
  ------------^
  compilation aborted for modules.F (code 1)


Thank you for your help



Nikolaos Dimakis
Assistant Professor
Physics and Geology
University of Texas-Pan American

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