a couple of questions if someone has a couple of minutes.<br><br>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. <br>
<br>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.<br><br># Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken; -static does not give traceback-lines)<br>
linuxif9:FC:ifortlinuxif9:MPF:ifort<br>linuxif9:CC:cclinuxif9:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -O<br>3 -xW<br>linuxif9:FPOPT:$(FOPT) -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -I/opt/mpich2/includelinuxif9:LDFLAGS: $(FOPT) -L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t">10.2.1.017/lib/em64t</a> -pthread -i-static<br>
linuxif9:R_LIBS:-L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t">10.2.1.017/lib/em64t</a> -lmkl_lapack -lmkl -liomp5<br> -lguide -lmkl_core<br>linuxif9:DPARALLEL:'-DParallel'<br>linuxif9:RP_LIBS: -L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t">10.2.1.017/lib/em64t</a> -lmkl_lapack -lmkl_intel<br>
_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_intel_ilp64 -<br>lmkl_scalapack_ilp64 -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw -L/opt/mpich2/lib<br> -lmpich -lfmpich <br>linuxif9:MPIRUN:mpiexec _EXEC_<br>
<br>i am running on a xeon, CentOS5 machine. intel noncommercial.<br><br>Any information would be appreciated.<br><br>Thank you,<br>JD<br><br><div class="gmail_quote">On Mon, Sep 14, 2009 at 10:31 AM, Jeff DeReus <span dir="ltr"><<a href="mailto:jdereus@gmail.com">jdereus@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">fftw was compiled into /opt/fftw-2.1.5 with flags<br><br> $ ./configure --prefix=/opt/fftw-2.1.5/ --enable-mpi --enable-threads<br>
<br>Thank you,<br><font color="#888888">JD</font><div><div></div><div class="h5"><br><br><div class="gmail_quote">On Mon, Sep 14, 2009 at 10:27 AM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">It looks like you did not compile fftw (or it is somewhere else).<br>
<br>
2009/9/14 Jeff DeReus <<a href="mailto:jdereus@gmail.com" target="_blank">jdereus@gmail.com</a>>:<br>
<div><div></div><div>> Hello again. i am having some issues compiling lapw0/1/2 modules in<br>
> wein2k_09. i am running on a CentOS 5.3 box. intel non-commercial<br>
> compilers and mkl.<br>
><br>
><br>
><br>
> here are my current parallel settings from siteconfig.<br>
><br>
> Current settings:<br>
> RP RP_LIB(SCALAPACK+PBLAS): -L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t" target="_blank">10.2.1.017/lib/em64t</a><br>
> -lmkl_lapack -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64<br>
> -lmkl_sequential -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw -L/opt/mpich2/lib<br>
> -lmpich<br>
> FP FPOPT(par.comp.options): $(FOPT) -FR -mp1 -w -prec_div -pc80 -pad<br>
> -align -DINTEL_VML -traceback -I/opt/mpich2/include<br>
> -I/opt/fftw-2.1.5/fortran<br>
> MP MPIRUN commando : mpiexec _EXEC_<br>
><br>
> all other modules compile correctly. if i do not enable parallel<br>
> functionality, the compilation completes with no errors.<br>
><br>
> when compiling /opt/wien2k/SRC_lapw0 it ends with these errors which i have<br>
> not been able to track down.<br>
><br>
> fftw_para.o: In function `exec_fftw_para_':<br>
> fftw_para.F:(.text+0x77): undefined reference to `fftwnd_f77_mpi_'<br>
> fftw_para.F:(.text+0xb2): undefined reference to `fftwnd_f77_mpi_'<br>
> fftw_para.o: In function `init_fftw_para_':<br>
> fftw_para.F:(.text+0x101): undefined reference to<br>
> `fftw3d_f77_mpi_create_plan_'<br>
> fftw_para.F:(.text+0x129): undefined reference to<br>
> `fftw3d_f77_mpi_create_plan_'<br>
> fftw_para.F:(.text+0x14d): undefined reference to<br>
> `fftwnd_f77_mpi_local_sizes_'<br>
> make[1]: *** [lapw0_mpi] Error 1<br>
> make[1]: Leaving directory `/opt/wien2k/SRC_lapw0'<br>
> make: *** [para] Error 2<br>
><br>
> however, /opt/wien2k/SRC_lapw1/2 end with these errors.<br>
><br>
> <snip><br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_pdett__d_forward_trig_transform'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_trans_mkl_comatcopy'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_pdett_s_init_trig_transform'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_pdepl_s_commit_helmholtz_3d'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_pdepl_d_commit_helmholtz_2d'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_pdett__d_commit_trig_transform'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_trans_mkl_comatadd'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_serv_getversionstring_c'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_spblas_lp64_mkl_dcsrsky'<br>
> /opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so" target="_blank">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined<br>
> reference to `mkl_pdett__d_init_trig_transform'<br>
> make[1]: *** [lapw2c_mpi] Error 1<br>
> make[1]: Leaving directory `/opt/wien2k/SRC_lapw2'<br>
> make: *** [cp] Error 2<br>
><br>
><br>
> i can find no mention of the fftw3d errors anywhere.<br>
><br>
> my complete appropriate section of siteconfig<br>
><br>
> # Linux PC system with IFC 10 compiler + mkl 10 (-ip is broken; -static does<br>
> not give traceback-lines)<br>
> linuxif9:FC:ifort<br>
> linuxif9:MPF:ifort<br>
> linuxif9:CC:cc<br>
> linuxif9:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML<br>
> -traceback -O3 -xW<br>
> linuxif9:FPOPT:$(FOPT) -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML<br>
> -traceback -I/opt/mpich2/include<br>
> linuxif9:LDFLAGS: $(FOPT) -L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t" target="_blank">10.2.1.017/lib/em64t</a> -pthread<br>
> -i-static<br>
> linuxif9:R_LIBS:-L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t" target="_blank">10.2.1.017/lib/em64t</a> -lmkl_lapack -lmkl<br>
> -liomp5 -lguide -lmkl_core<br>
> linuxif9:DPARALLEL:'-DParallel'<br>
> linuxif9:RP_LIBS: -L/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t" target="_blank">10.2.1.017/lib/em64t</a> -lmkl_lapack<br>
> -lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential<br>
> -L/opt/fftw-2.1.5/lib/ -lfftw_mpi -lfftw<br>
> linuxif9:MPIRUN:mpiexec _EXEC_<br>
><br>
><br>
> any assistance in this matter would be appreciated.<br>
><br>
> Thank you,<br>
> JD<br>
><br>
</div></div>> _______________________________________________<br>
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><br>
><br>
<br>
<br>
<br>
--<br>
Laurence Marks<br>
Department of Materials Science and Engineering<br>
MSE Rm 2036 Cook Hall<br>
2220 N Campus Drive<br>
Northwestern University<br>
Evanston, IL 60208, USA<br>
Tel: (847) 491-3996 Fax: (847) 491-7820<br>
email: L-marks at northwestern dot edu<br>
Web: <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>
Chair, Commission on Electron Crystallography of IUCR<br>
<a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu/</a><br>
Electron crystallography is the branch of science that uses electron<br>
scattering and imaging to study the structure of matter.<br>
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</blockquote></div><br>
</div></div></blockquote></div><br>