[Wien] Problems on compiling wien2k in parallel mod
Nilton
nilton at ufba.br
Sun Mar 23 23:02:42 CET 2008
Dear Wien users,
I am facing troubles with compilation of wien2k8 in parallel mode. Below is
the specification of my system as well as the error mensages I have
got.
My system is a little cluster compound by 7 quad core, 64 bits hardware in
which have 8 GB of RAM, runnning rocks 4.3 system. I am using ifort
8.0with mkl
9.0, mpich-1.2.7, scalapack-1.8, and blacs. Below you can see the part of my
Makefile where I set the compiler/library, and after the error mensage I
have got. If some one have some suggestion I thanks in advance. On this
same system I have the serial version of wien2k8 and parallel version of
vasp too.
with best,
Nilton
-----------------------------section of Makefile
------------------------------
>
> ------
>
> FC = /opt/intel_fce_80/bin/ifort
> MPF = /opt/mpich-1.2.1/bin/mpif90
> CC = cc
> FOPT = -FR -mp1 -w -xP -prec_div -pc80 -pad -parallel -DINTEL_VML
> FPOPT = -FR -mp1 -w -xP -prec_div -pc80 -pad DINTEL_VML
> DParallel = '-DParallel'
> FGEN = $(PARALLEL)
> LDFLAGS = -L/opt/intel_fce_80/lib -lguide -lpthread
> R_LIBS = -L/opt/intel/mkl/9.0/lib/em64t -lmkl_lapack -lmkl_em64t
> C_LIBS = $(R_LIBS)
> RP_LIBS = $(R_LIBS) -L/usr/local/blacs-wien/lib -lscalapack
> -lblacsCinit_MPI-LINUX-0 \
> -lblacsF77init_MPI-LINUX-0 -lblacs_MPI-LINUX-0 -L/opt/mpich-1.2.1/lib
>
>
> ---------------------section of error mensages -------------------------
> /opt/mpich-1.2.1/bin/mpif90 -o ./lapw1_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 dsymm2.o dsyr2m.o dsyrb4.o
> dsyrb5l.o dsyrdt4.o dsytrd2.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 pdsyevx16.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 zhemm2.o
> zher2m.o zhetrd2.o pdsyr2m.o pzher2m.o jacdavblock.o make_albl.o
> global2local.o par_syrk.o my_dsygst.o refblas_dtrsm.o seclit_par.o
> pdgetrf_my.o pzgetrf_my.o -L/opt/intel_fce_80/lib -lguide -lpthread
> -L/opt/intel/mkl/9.0/lib/em64t -lmkl_lapack -lmkl_em64t
> -L/usr/local/blacs-wien/lib -lscalapack -lblacsCinit_MPI-LINUX-0
> -lblacsF77init_MPI-LINUX-0 -lblacs_MPI-LINUX-0 -L/opt/mpich-1.2.1/lib
> modules.o(.text+0xfe): In function `parallel_mp_init_parallel_':
> : undefined reference to `sl_init_'
> modules.o(.text+0x13c): In function `parallel_mp_init_parallelmatrices_':
> : undefined reference to `blacs_gridinfo_'
> ..
> ...
> ...
> ...
> ..
> /usr/local/blacs-wien/lib/libblacs_MPI-LINUX-0.a(bi_f77_get_constants.o)(.data+0x10):
> undefined reference to `mpi_null_copy_fn__'
> make[1]: *** [lapw1_mpi] Error 1
> make[1]: Leaving directory `/state/partition1/wien2k8/sources/SRC_lapw1'
> make: *** [rp] Error 2
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