[Wien] parallel compilation
Jeff DeReus
jdereus at gmail.com
Mon Sep 14 21:55:22 CEST 2009
a couple of questions if someone has a couple of minutes.
if you do not select fine grained parallel, siteconfig_lapw does not give
you options to tune parallel parameters. does that mean that it is not
compiling parallel at all? if i do not do fine tuning, i can get a complete
compilation.
is there anything glaringly wrong with my siteconfig section? if i compile
for finegrained parallel, using what i am assuming is the RP_LIBS and FPOPT
flags, i get a poor compilation.
# Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken; -static does
not give traceback-lines)
linuxif9:FC:ifortlinuxif9:MPF:ifort
linuxif9:CC:cclinuxif9:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align
-DINTEL_VML -traceback -O
3 -xW
linuxif9:FPOPT:$(FOPT) -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
-traceback -I/opt/mpich2/includelinuxif9:LDFLAGS: $(FOPT) -L/opt/intel/mkl/
10.2.1.017/lib/em64t -pthread -i-static
linuxif9:R_LIBS:-L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_lapack -lmkl
-liomp5
-lguide -lmkl_core
linuxif9:DPARALLEL:'-DParallel'
linuxif9:RP_LIBS: -L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_lapack
-lmkl_intel
_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential
-lmkl_intel_ilp64 -
lmkl_scalapack_ilp64 -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw
-L/opt/mpich2/lib
-lmpich -lfmpich
linuxif9:MPIRUN:mpiexec _EXEC_
i am running on a xeon, CentOS5 machine. intel noncommercial.
Any information would be appreciated.
Thank you,
JD
On Mon, Sep 14, 2009 at 10:31 AM, Jeff DeReus <jdereus at gmail.com> wrote:
> fftw was compiled into /opt/fftw-2.1.5 with flags
>
> $ ./configure --prefix=/opt/fftw-2.1.5/ --enable-mpi --enable-threads
>
> Thank you,
> JD
>
>
> On Mon, Sep 14, 2009 at 10:27 AM, Laurence Marks <L-marks at northwestern.edu
> > wrote:
>
>> It looks like you did not compile fftw (or it is somewhere else).
>>
>> 2009/9/14 Jeff DeReus <jdereus at gmail.com>:
>> > Hello again. i am having some issues compiling lapw0/1/2 modules in
>> > wein2k_09. i am running on a CentOS 5.3 box. intel non-commercial
>> > compilers and mkl.
>> >
>> >
>> >
>> > here are my current parallel settings from siteconfig.
>> >
>> > Current settings:
>> > RP RP_LIB(SCALAPACK+PBLAS): -L/opt/intel/mkl/10.2.1.017/lib/em64t
>> > -lmkl_lapack -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64
>> > -lmkl_sequential -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw
>> -L/opt/mpich2/lib
>> > -lmpich
>> > FP FPOPT(par.comp.options): $(FOPT) -FR -mp1 -w -prec_div -pc80
>> -pad
>> > -align -DINTEL_VML -traceback -I/opt/mpich2/include
>> > -I/opt/fftw-2.1.5/fortran
>> > MP MPIRUN commando : mpiexec _EXEC_
>> >
>> > all other modules compile correctly. if i do not enable parallel
>> > functionality, the compilation completes with no errors.
>> >
>> > when compiling /opt/wien2k/SRC_lapw0 it ends with these errors which i
>> have
>> > not been able to track down.
>> >
>> > fftw_para.o: In function `exec_fftw_para_':
>> > fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'
>> > fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'
>> > fftw_para.o: In function `init_fftw_para_':
>> > fftw_para.F:(.text+0x101): undefined reference to
>> > `fftw3d_f77_mpi_create_plan_'
>> > fftw_para.F:(.text+0x129): undefined reference to
>> > `fftw3d_f77_mpi_create_plan_'
>> > fftw_para.F:(.text+0x14d): undefined reference to
>> > `fftwnd_f77_mpi_local_sizes_'
>> > make[1]: *** [lapw0_mpi] Error 1
>> > make[1]: Leaving directory `/opt/wien2k/SRC_lapw0'
>> > make: *** [para] Error 2
>> >
>> > however, /opt/wien2k/SRC_lapw1/2 end with these errors.
>> >
>> > <snip>
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_pdett__d_forward_trig_transform'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_trans_mkl_comatcopy'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_pdett_s_init_trig_transform'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_pdepl_s_commit_helmholtz_3d'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_pdepl_d_commit_helmholtz_2d'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_pdett__d_commit_trig_transform'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_trans_mkl_comatadd'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_serv_getversionstring_c'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_spblas_lp64_mkl_dcsrsky'
>> > /opt/intel/mkl/10.2.1.017/lib/em64t/libmkl_intel_lp64.so: undefined
>> > reference to `mkl_pdett__d_init_trig_transform'
>> > make[1]: *** [lapw2c_mpi] Error 1
>> > make[1]: Leaving directory `/opt/wien2k/SRC_lapw2'
>> > make: *** [cp] Error 2
>> >
>> >
>> > i can find no mention of the fftw3d errors anywhere.
>> >
>> > my complete appropriate section of siteconfig
>> >
>> > # Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken; -static
>> does
>> > not give traceback-lines)
>> > linuxif9:FC:ifort
>> > linuxif9:MPF:ifort
>> > linuxif9:CC:cc
>> > linuxif9:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
>> > -traceback -O3 -xW
>> > linuxif9:FPOPT:$(FOPT) -FR -mp1 -w -prec_div -pc80 -pad -align
>> -DINTEL_VML
>> > -traceback -I/opt/mpich2/include
>> > linuxif9:LDFLAGS: $(FOPT) -L/opt/intel/mkl/10.2.1.017/lib/em64t-pthread
>> > -i-static
>> > linuxif9:R_LIBS:-L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_lapack
>> -lmkl
>> > -liomp5 -lguide -lmkl_core
>> > linuxif9:DPARALLEL:'-DParallel'
>> > linuxif9:RP_LIBS: -L/opt/intel/mkl/10.2.1.017/lib/em64t -lmkl_lapack
>> > -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential
>> > -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw
>> > linuxif9:MPIRUN:mpiexec _EXEC_
>> >
>> >
>> > any assistance in this matter would be appreciated.
>> >
>> > Thank you,
>> > JD
>> >
>> > _______________________________________________
>> > Wien mailing list
>> > Wien at zeus.theochem.tuwien.ac.at
>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> >
>> >
>>
>>
>>
>> --
>> Laurence Marks
>> Department of Materials Science and Engineering
>> MSE Rm 2036 Cook Hall
>> 2220 N Campus Drive
>> Northwestern University
>> Evanston, IL 60208, USA
>> Tel: (847) 491-3996 Fax: (847) 491-7820
>> email: L-marks at northwestern dot edu
>> Web: www.numis.northwestern.edu
>> Chair, Commission on Electron Crystallography of IUCR
>> www.numis.northwestern.edu/
>> Electron crystallography is the branch of science that uses electron
>> scattering and imaging to study the structure of matter.
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>
>
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