[Wien] Problems on compiling wien2k in parallel mod

[Peter Blaha]

You are missing routines belonging to scalapack (sl_init, `blacs_gridinfo',..)

Either you need additional libraries (belonging to the scalapack package) or
you have incopmpatible compilers (some have one `_` other*s no '_' underline
character appended.



Nilton schrieb:
> 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 
> 8.0 with 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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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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