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OPENMX 3.7 Installation problem
Date: 2013/07/09 15:44
Name: Kanagaraj C   <ckrajan.physics@gmail.com>

Dear Professor,

I am having difficult in installation of OPENMX 3.7. I am encountered with the following error messages like..

1)

liberi-091216/source/eri.c: In function 'ERI_Overlap':
liberi-091216/source/eri.c:133: warning: passing argument 5 of 'ERI_LL_Overlap_d' from incompatible pointer type

2) gcc: openmx.o: No such file or directory
gcc: openmx_common.o: No such file or directory


please give me some suggestion and solution to solve my problems..

With Thanks & Regards

Kanagaraj C
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Re: OPENMX 3.7 Installation problem ( No.1 )
Date: 2013/07/09 22:32
Name: T.V.T. Duy  <duytvt@jaist.ac.jp>

Hi,

With respect to your two questions:

1) This is just a warning, not error message. I suppose there should be no problem here.

2) The messages indicate that the source files are not compiled successfully because CC (and FC) is not set correctly to match your environment. In order to compile OpenMX3.7, you must set CC (for the C compiler), FC (for the Fortran compiler), and LIB (for the libraries). Could you please check if their settings are correct?

Some sample settings can be found in the manual here.

http://www.openmx-square.org/openmx_man3.7/node15.html

If you still cannot solve the problem, please post your settings of CC, FC, and LIB so that I can suggest some workaround.

Regards,
TVT Duy

メンテ
Re: OPENMX 3.7 Installation problem ( No.2 )
Date: 2013/07/10 02:20
Name: Kanagaraj C  <ckrajan.physics@gmail.com>

Dear Professor,

Thanks for your suggestions!

I little bit chaged my makefile and still i am gettinng some warning messages like,

/usr/local/lib/liblapack.a(zung2l.o): In function `zung2l_':
zung2l.f:(.text+0x174): undefined reference to `_intel_fast_memset'
zung2l.f:(.text+0x2fa): undefined reference to `zscal_'
zung2l.f:(.text+0x388): undefined reference to `_intel_fast_memset'
/usr/local/lib/liblapack.a(dgecon.o): In function `dgecon_':
dgecon.f:(.text+0x3ed): undefined reference to `idamax_'

and so on...

My make file options are as follows:

MKLROOT = /state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64
CC = /opt/mpich2/gnu/bin/mpicc -O3 -ffast-math -fopenmp -I/opt/mpich2/gnu/include
FC = mpif90 -O3 -fopenmp -ffast-math -I/opt/mpich2/gnu/include
LIB = /usr/local/lib/libfftw3.a -L$(MKLROOT)/libmkl_lapack95_lp64.a $(MKLROOT)/libmkl_intel_lp64.a $(MKLROOT)/libmkl_intel_thread.a $(MKLROOT)/libmkl_core.a -L/state/partition1/apps/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libifcore.a -L/usr/lib/gcc/x86_64-redhat-linux/4.4.4/ -lgfortran
LIB = -L/state/partition1/home/kanagaraj/fftw-Inst/lib -lfftw3
LIB = -L/usr/local/lib -lblas
LIB = -L/usr/local/lib -llapack
lIB = -L/home/kanagaraj/LIBG2C/usr/lib/gcc/x86_64-redhat-linux/3.4.6/libg2c.a -lg2c
INCLUDE = -I/state/partition1/home/kanagaraj/fftw-Inst/include -I/state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl/include/intel64/lp64 -I/usr/local/include -I/opt/openmpi/include -I/usr/include -I/state/partition1/home/kanagaraj/LIBG2C/usr/lib/gcc/x86_64-redhat-linux/3.4.6/include

FLAG = -c

Please give me some solution to solve my problems...

With Thanks & Regards

Kanagaraj C

メンテ
Re: OPENMX 3.7 Installation problem ( No.3 )
Date: 2013/07/10 12:17
Name: T.V.T. Duy  <duytvt@jaist.ac.jp>

Hi,

The settings suggest that you are using the GNU compilers and MKL library.

Please modify them as follows, and try makefile again.

MKLROOT=/state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl

CC=/opt/mpich2/gnu/bin/mpicc -O3 -ffast-math -fopenmp -I/state/partition1/home/kanagaraj/fftw-Inst/include -I/$MKLROOT/include

FC=/opt/mpich2/gnu/bin/mpif90 -O3 -ffast-math -fopenmp -I/$MKLROOT/include

LIB= -L/state/partition1/home/kanagaraj/fftw-Inst/lib -lfftw3 -L/$MKLROOT/lib/intel64/ -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread -lgfortran


Regards,
TVT Duy
メンテ
Re: OPENMX 3.7 Installation problem ( No.4 )
Date: 2013/07/10 16:42
Name: Kanagaraj C  <ckrajan.physics@gmail.com>

Dear Professor,

I changed the make file FC and CC optionas as your suggestion, now i didn't get any warning messages..But i am getting error message like

/usr/bin/ld: cannot find -lmkl_intel_lp64
collect2: ld returned 1 exit status
make: *** [openmx] Error 1

Eventhough "-lmkl_intel_lp64" was in correct path... But it showing cannot find -lmkl_intel_lp64 like that..

Is there any other modification i have to do.

Please give me some solution to solve my problems...

With Thanks & Regards

Kanagaraj C
メンテ
Re: OPENMX 3.7 Installation problem ( No.5 )
Date: 2013/07/10 17:46
Name: T.V.T. Duy  <duytvt@jaist.ac.jp>

Hi,

You have successfully proceeded to the link stage. Now what you need to do is to specify the LIB correctly.

As the first trial, please modify LIB as follows and try again.

LIB = -L/state/partition1/home/kanagaraj/fftw-Inst/lib -lfftw3 -L/$MKLROOT/lib/intel64 -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -lgfortran

Regards,
TVT Duy
メンテ
Re: OPENMX 3.7 Installation problem ( No.6 )
Date: 2013/07/10 19:44
Name: Kanagaraj C  <ckrajan.physics@gmail.com>

Dear Professor,


Now i am getting some error in mkl thread prat...

1)

/state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.a(dgeqrf_par.o): In function `mkl_lapack_dgeqrf':
__tmp_par_dgeqrf_omp.f:(.text+0x730): undefined reference to `__kmpc_critical'
__tmp_par_dgeqrf_omp.f:(.text+0x833): undefined reference to `__kmpc_flush'
__tmp_par_dgeqrf_omp.f:(.text+0x85c): undefined reference to `__kmpc_flush'
__tmp_par_dgeqrf_omp.f:(.text+0xa32): undefined reference to `__kmpc_flush'

2)

/state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.a(zher2k_drv.o): In function `mkl_blas_zher2k':
../../../../blas/thread/32e/level3/zher2k.c:(.text+0x66b): undefined reference to `__kmpc_global_thread_num'
../../../../blas/thread/32e/level3/zher2k.c:(.text+0x68b): undefined reference to `__kmpc_ok_to_fork'
../../../../blas/thread/32e/level3/zher2k.c:(.text+0x6aa): undefined reference to `__kmpc_push_num_threads'

and my make file options are as follows

MKLROOT=/state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl

CC=/opt/mpich2/gnu/bin/mpicc -O3 -ffast-math -fopenmp -I/state/partition1/home/kanagaraj/fftw-Inst/include -I$(MKLROOT)/include

FC=/opt/mpich2/gnu/bin/mpif90 -O3 -ffast-math -fopenmp -I$(MKLROOT)/include


LIB = -L/state/partition1/home/kanagaraj/fftw-Inst/lib -lfftw3 -L$MKLROOT/lib/intel64 -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -L/usr/lib/gcc/x86_64-redhat-linux/4.4.4 -lgfortran


Please give me some solution to solve my problems...

With Thanks & Regards

Kanagaraj C
メンテ
Re: OPENMX 3.7 Installation problem ( No.7 )
Date: 2013/07/10 22:18
Name: T.V.T. Duy  <duytvt@jaist.ac.jp>

Hi,

The error messages indicate that you need to provide the OpenMP runtime library, libiomp5.a.


Please add the following link options to LIB and try again.

LIB = ... -liomp5 -lpthread

Regards,
TVT Duy

メンテ
Re: [Solved] OPENMX 3.7 Installation problem ( No.8 )
Date: 2013/07/16 15:57
Name: Kanagaraj C  <ckrajan.physics@gmail.com>

Dear Professor,

Thanks for your valuable suggestions and kind response!!

With your suggestions i made correction in my make file and i successfully installed openmx-v3.7 in our cluster....

My make file options are as follows:

MKLROOT = /state/partition1/apps/intel/composer_xe_2011_sp1.6.233/mkl
CC =/opt/mpich2/gnu/bin/mpicc -O3 -ffast-math -fopenmp -I/opt/mpich2/gnu/include -I/state/partition1/home/kanagaraj/fftw-Inst/include -I/$(MKLROOT)/include


FC =/opt/mpich2/gnu/bin/mpif90 -O3 -ffast-math -fopenmp -I/opt/mpich2/gnu/include -I/state/partition1/home/kanagaraj/fftw-Inst/include -I/$(MKLROOT)/include


LIB = -L/state/partition1/home/kanagaraj/fftw-Inst/lib/libfftw3.a -L$(MKLROOT)/lib/intel64 -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group /state/partition1/apps/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libifcore.a /state/partition1/apps/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.a /usr/lib/gcc/x86_64-redhat-linux/4.4.4/libgfortran.a

once again i thanking you Professor!!


With Thanks & Regards

Kanagaraj C
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