[Wien] COMPILER OPTIONS??

[Shunli Shang]

Dear Nandan,

Sorry, I don't know the solution to your error. In fact, I didn't use
Scalapack library to compile the WIEN2K code. Maybe other person can help
you.
Good Luck!
Shunli


----- Original Message ----- 
From: "Nandan Tandon" <nandan at physics.unipune.ernet.in>
To: "wien mailing list" <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, April 28, 2004 7:38 AM
Subject: Re: [Wien] COMPILER OPTIONS??


>
> Dear Shunli,
>
> I have tried to compile WIEN2k using the following options.
>
> computer: 1.5 GHz Itanium 2 16 processor SGI Altix 3700
> Compiler:  efc7.1: the Intel Fortran Compiler for Itanium
> Libs:           MKL 6.1 and SCALAPACK
>
> I have installed the BLACS and SCALAPACK libraries available on
> www.netlib.com and compiled it on my machine.
>
>
> current:FOPT:-FR -mp -w -O2
> current:FPOPT:-FR -mp -w -O2
> current:LDFLAGS:-L../SRC_lib -Vaxlib -openmp
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-llapack_lapw -lblas_lapw -llapack_lapw -lblas_lapw -lguide
> -lpthread
> current:RP_LIBS:-lmpi -L/opt/intel/mkl61/lib/64 -lmkl
> -L/home/anjali/wien2k/SCALAPACK -lscalapack
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
>
> But i still get one error in lapw1 compile.msg as follows:
>
>
> /opt/intel/compiler70/ia64/bin/efc  -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
> -L../SRC_lib -Vaxlib -openmp -llapack_lapw -lblas_lapw -llapack_lapw
> -lblas_lapw -lguide -lpthread -lmpi -L/opt/intel/mkl61/lib/64 -lmkl
> -L/home/anjali/wien2k/SCALAPACK -lscalapack
> modules.o: In function `parallel$$init_parallel_':
> modules.o(.text+0x212): undefined reference to `sl_init_'
> modules.o: In function `parallel$$init_parallelmatrices_':
> modules.o(.text+0x2b2): undefined reference to `blacs_gridinfo_'
> modules.o(.text+0x6c2): undefined reference to `sl_init_'
> modules.o(.text+0x702): undefined reference to `blacs_gridinfo_'
> make[1]: *** [lapw1_mpi] Error 1
> make[1]: Leaving directory
> `/home/anjali/wien2k/para_new_source/new_source/SRC_lapw1'
> make: *** [rp] Error 2
> if [ -f .real ]; then \
>    rm -f .real calkpt.o hamilt.o hns.o horb.o modules.o seclit.o seclr4.o
> seclr5.o tapewf.o ustphx.o wfpnt.o wfpnt1.o param.inc; \
> fi
>
>
>
> sl_init_.f & blacs_gridinfo_.c are subroutines in SCALAPACK and BLACS
> respectively.
>
>
> Please let me know if you can suggest some solution to get rid of the
> errors.
>
> Thank you in advance.
>
> Nandan Tandon.
>
>
>
>
> On Tue, 20 Apr 2004, Shunli Shang wrote:
>
> > Dear Nandan,
> >
> > You can try GOTO's library, at present the new GOTO's lib for Itanium2
can
> > give the correct result.
> >
> > I made a new test for the new GOTO's lib for the following Itanium2
> > processor:
> > Computer:             SGI Altix 3700 system (Intel Itanium2 CPU: 1.3GHz)
> > Operating system:  RedHat Linux
> > Compiler:              efc7.1: the Intel Fortran Compiler for Itanium
> > Libs:                     GOTO' lib for BLAS and MKL 6.0 for LAPACK.
> >
> > Options to compile WIEN2K:
> >      O:    -FR -mp -w -O2
> >      L:    -L../SRC_lib -Vaxlib -openmp
> >      P:    '-DParallel'
> >      R:
> >    /home/shang819/wien2kgoto/SRC_lib/libgoto_it2p-r0.94.so -llapack_lapw
> >
> > Test conditions:    THREADS=1, Single CPU.
> > Test results shown in the test_case.output1 file:
> > Maximum WALL clock time:    213.7   sec
> > Maximum CPU time:           2177.6 (should be 217.776 sec)
> >
> > Best regards,
> > Shunli Shang
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
>
****************************************************************************
**
> Nandan Tandon
> Research Student
> Department of Physics,
> University of Pune
> Pune-411007                             Tel.(O)5692678 ext 426
> MAHARASHTRA, INDIA.
>
****************************************************************************
**
>
>
>
>
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