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

2014-10-08 Thread McDermott Eamon John Gordon 
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.mcderm...@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 
(yhattor...@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/

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

2014-10-08 Thread Yocefu Hattori 
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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