[Wien] errors in lapw0 and lapw1 - parallel mode compilation

Thu Oct 9 07:04:25 CEST 2014

Google found some info here: https://software.intel.com/en-us/forums/topic/485528

You are mixing MKL libraries for the x86-64 target in R_LIB with MKL libraries targeting the Intel Phi (MIC) co-processor in RP_LIB (those in $MKLROOT/lib/mic/).

Are you really targeting the Intel Phi co-processor? If not, you need to remove /mic/ from your RP_LIB library paths. If yes, I suspect you need to make use of the MKL link line advisor (https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor) to set some more options (there is at least a -mmic compiler directive that you would need to set).

--
Eamon McDermott, M.Sc.
Institute of Materials Chemistry, TU Wien
eamon.mcdermott at tuwien.ac.at
Office: +43 (1) 58801-165304
Scheduling: http://doodle.com/eamon.mcdermott

On October 9, 2014 at 5:44:34 AM, Yocefu Hattori (yhattori17 at gmail.com<mailto:yhattori17 at gmail.com>) wrote:

Dear Wien2k users,

I'm having problems during compilation of lapw0 and lapw1 in parallel mode. As you can see below there are errors in incompatibility with 32bit, but I installed the ifort (intel composer xe 2013 sp1)  compiler in 64 bit.

My settings:

MKLROOT=/opt/intel/composer_xe_2013_sp1.2.144/mkl

MKL_TARGET_ARCH=intel64

Compiler options: -I$(MKLROOT)/include -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io

F FFTW options: -DFFTW3 -I/opt/fftw3/include

L Linker Flags: $(FOPT) -L$(MKLROOT)/lib/intel64 -pthread

P Preprocessor flags '-DParallel'

R R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread

FL FFTW_LIBS: /opt/fftw3/lib/libfftw3_mpi.a /opt/fftw3/lib/libfftw3.a

RP RP_LIB(SCALAPACK+PBLAS): $(MKLROOT)/lib/mic/libmkl_scalapack_lp64.a -Wl,--start-group $(MKLROOT)/lib/mic/libmkl_intel_lp64.a $(MKLROOT)/lib/mic/libmkl_core.a $(MKLROOT)/lib/mic/libmkl_sequential.a -Wl,--end-group $(MKLROOT)/lib/mic/libmkl_blacs_intelmpi_lp64.a -lpthread -lm

FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io

MP MPIRUN commando : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_

Compile Errors:

Compile time errors (if any) were:

SRC_lapw0/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_intel_lp64.a(dftierrorclass_lp64.o)' is incompatible with i386:x86-64 output

SRC_lapw0/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_intel_lp64.a(dfti_error_class_external.o)' is incompatible with i386:x86-64 output

SRC_lapw0/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_core.a(_knc_transfer_ipp_mkl_error.o)' is incompatible with i386:x86-64 output

SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1

SRC_lapw0/compile.msg:make: *** [para] Error 2

SRC_lapw1/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_intel_lp64.a(vml_error_iface.o)' is incompatible with i386:x86-64 output

SRC_lapw1/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_core.a(vml_errors.o)' is incompatible with i386:x86-64 output

SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1

SRC_lapw1/compile.msg:make: *** [rp] Error 2

SRC_lapw1/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_intel_lp64.a(vml_error_iface.o)' is incompatible with i386:x86-64 output

SRC_lapw1/compile.msg:ld: k1om architecture of input file `/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_core.a(vml_errors.o)' is incompatible with i386:x86-64 output

SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1

SRC_lapw1/compile.msg:make: *** [cp] Error 2

I had those messages to:

fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':

fft_modules.F:(.text+0x41): undefined reference to `fftw_mpi_init'

fft_modules.F:(.text+0xbe): undefined reference to `fftw_mpi_local_size_3d_f03'

fft_modules.F:(.text+0xcd): undefined reference to `fftw_alloc_complex'

fft_modules.o: In function `fftw_parallel_mp_c3fft_':

fft_modules.F:(.text+0x11d4): undefined reference to `fftw_mpi_execute_dft'

fft_modules.F:(.text+0x2523): undefined reference to `fftw_mpi_execute_dft'

fft_modules.F:(.text+0x46f1): undefined reference to `fftw_mpi_plan_dft_3d_f03'

fft_modules.F:(.text+0x5195): undefined reference to `fftw_mpi_plan_dft_3d_f03'

ld: /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/mic/libmkl_core.a(_knc_Iotensor.o)(.text+0xb99): unresolvable R_X86_64_PLT32 relocation against symbol `fflush@@GLIBC_2.2.5'

ld: final link failed: Nonrepresentable section on output

make[1]: *** [lapw0_mpi] Error 1

make[1]: Leaving directory `/home/yhattori/WIEN2k_13/SRC_lapw0'

make: *** [para] Error 2

Copying programs

SRC_lapw0/lapw0

done.

For fftw3 (3.3.3) installation I used configure --prefix=/opt/fftw3 FC=ifort –enable-mpi

I've looked in the mailing list but I couldn't find a solution.

All help would be appreciated.

Yocefu Hattori.

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