I'm trying to compile Wien2k using ACML4.4.0 and gfortran with openmpi for SMP parallelization on Debian Squeeze AMD64 machine. I've compiled fftw2 and Scalapack (using installer) which are required. And now compiling Wien2k. During compilation the next problems appears:
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mpif90 -o ./lapw1c_mpi abc.o atpar.o bandv1.o calkpt.o cbcomb.o coors.o cputim.o dblr2k.o dgeqrl.o dgewy.o dgewyg.o dlbrfg.o dsbein1.o dscgst.o dstebz2.o dsyevx2.o dsyr2m.o dsyrb4.o dsyrb5l.o dsyrdt4.o dsywyv.o dsyxev4.o dvbes1.o eisps.o errclr.o errflg.o forfhs.o gaunt1.o gaunt2.o gbass.o gtfnam.o hamilt.o hns.o horb.o inikpt.o inilpw.o lapw1.o latgen.o lmsort.o locdef.o lohns.o lopw.o matmm.o modules.o nn.o outerr.o outwin.o prtkpt.o prtres.o pzheevx16.o rdswar.o rint13.o rotate.o rotdef.o seclit.o seclr4.o seclr5.o select.o service.o setkpt.o setwar.o sphbes.o stern.o tapewf.o ustphx.o vectf.o warpin.o wfpnt.o wfpnt1.o ylm.o zhcgst.o zheevx2.o zher2m.o jacdavblock.o make_albl.o global2local.o par_syrk.o my_dsygst.o refblas_dtrsm.o seclit_par.o pdsyevx17.o pdstebz17.o pdgetri_my.o pzgetri_my.o W2kutils.o W2kinit.o -ffree-form -O3 -lpthread -L/opt/scalapack/lib -lscalapack -lblacs -L/usr/lib/openmpi/lib -lmpi -L/opt/acml4.4.0/gfortran64/lib -lacml -L/opt/fftw2/lib -lfftw_mpi -lfftw -lm -lpthread
/opt/scalapack/lib/libscalapack.a(SL_init.o): In function `sl_init_':
SL_init.f:(.text+0x39): undefined reference to `blacs_pinfo_'
/opt/scalapack/lib/libscalapack.a(pzgemr.o): In function `Cpzgemr2do':
pzgemr.c:(.text+0x1394): undefined reference to `Cblacs_pinfo'
/opt/scalapack/lib/libscalapack.a(pzgemr.o): In function `pzgemr2do_':
pzgemr.c:(.text+0x14a4): undefined reference to `Cblacs_pinfo'
/opt/scalapack/lib/libscalapack.a(pztrmr.o): In function `Cpztrmr2do':
pztrmr.c:(.text+0x17d6): undefined reference to `Cblacs_pinfo'
/opt/scalapack/lib/libscalapack.a(pztrmr.o): In function `pztrmr2do_':
pztrmr.c:(.text+0x1911): undefined reference to `Cblacs_pinfo'
/opt/scalapack/lib/libscalapack.a(pdgemr.o): In function `Cpdgemr2do':
pdgemr.c:(.text+0x1664): undefined reference to `Cblacs_pinfo'
/opt/scalapack/lib/libscalapack.a(pdgemr.o):pdgemr.c:(.text+0x1774): more undefined references to `Cblacs_pinfo' follow
Here are software versions which have been used:
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gfortran 4:4.4.4-2 The GNU Fortran 95 compiler
libopenmpi-dev 1.4.2-3 high performance message passing library -- header files
libopenmpi1.3 1.4.2-3 high performance message passing library -- shared library
openmpi-bin 1.4.2-3 high performance message passing library -- binaries
openmpi-checkpoint 1.4.2-3 high performance message passing library -- checkpoint support
openmpi-common 1.4.2-3 high performance message passing library -- common files
Can you please help me with compiling this software?

