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.<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">10.2.1.017/lib/em64t</a> -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<br>
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<br> MP MPIRUN commando : mpiexec _EXEC_<br><br>all other modules compile correctly. if i do not enable parallel functionality, the compilation completes with no errors.<br>
<br>when compiling /opt/wien2k/SRC_lapw0 it ends with these errors which i have 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 `fftw3d_f77_mpi_create_plan_'<br>fftw_para.F:(.text+0x129): undefined reference to `fftw3d_f77_mpi_create_plan_'<br>
fftw_para.F:(.text+0x14d): undefined reference to `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">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined 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">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined reference to `mkl_trans_mkl_comatcopy'<br>
/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined 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">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined 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">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined 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">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined 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">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined reference to `mkl_trans_mkl_comatadd'<br>/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined reference to `mkl_serv_getversionstring_c'<br>
/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined reference to `mkl_spblas_lp64_mkl_dcsrsky'<br>/opt/intel/mkl/<a href="http://10.2.1.017/lib/em64t/libmkl_intel_lp64.so">10.2.1.017/lib/em64t/libmkl_intel_lp64.so</a>: undefined 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 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 -traceback -O3 -xW<br>
linuxif9:FPOPT:$(FOPT) -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback -I/opt/mpich2/include<br>linuxif9: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 -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_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -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>