[Smeagol-discuss] compilation problem for parallel smeagol.
ambavale sagar
sagarambavale at yahoo.co.in
Mon Oct 13 12:49:46 IST 2008
Dear all and Ivan,
I tried with your arch.make and makefile but now new error
occurs as: no mpif90 file tough i gave its proper path
FC=/opt/MPI/lam-7.1.4/lam/bin/mpif90. Here i should confess that when i
compiled LAM-MPI (version 7) it was called that mpif77 is nothing but mpif90
and i have to just copy and rename the mpif77. I tried with mpif77 and as root
too. Should i turn to mpich? Will it conflict with previously iinstalled
lam-mpi? (At present,I am successfully using lam-mpi with PWSCF.)
*****************************************************
Error says:
/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_lapack.a
/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_em64t.a /opt/intel/mkl/10.0.1.014/lib/em64t/libguide.a -lpthread -lsvml
cdiag.o: In function `cdiag_':
cdiag.F:(.text+0x281): undefined reference to `blacs_get_'
cdiag.F:(.text+0x29f): undefined reference to
`blacs_gridinit_'
cdiag.F:(.text+0x2d5): undefined reference to `descinit_'
cdiag.F:(.text+0x324): undefined reference to `descinit_'
cdiag.F:(.text+0x36d): undefined reference to `descinit_'
cdiag.F:(.text+0x98c): undefined reference to `pzhegvx_'
cdiag.F:(.text+0x1e2a): undefined reference to `pzhegvx_'
cdiag.F:(.text+0x29ad): undefined reference to
`blacs_gridexit_'
rdiag.o: In function `rdiag_':
rdiag..F:(.text+0x310): undefined reference to `blacs_get_'
rdiag.F:(.text+0x32e): undefined reference to
`blacs_gridinit_'
rdiag.F:(.text+0x363): undefined reference to `descinit_'
rdiag.F:(.text+0x3ae): undefined reference to `descinit_'
rdiag.F:(.text+0x3f6): undefined reference to `descinit_'
rdiag.F:(.text+0xd63): undefined reference to `pdsygvx_'
rdiag.F:(.text+0x1657): undefined reference to
`blacs_gridexit_'
/opt/MPI/lam-7.1.4/lam/bin/mpif90: No such file or directory
make: *** [siesta] Error 1
[phy at localhost Src]$
*****************************
----- Original Message ----
From: Ivan Rungger <runggeri at tcd.ie>
To: ambavale sagar <sagarambavale at yahoo.co.in>
Cc: smeagol-post <smeagol-discuss at lists.tchpc.tcd.ie>
Sent: Monday, 13 October, 2008 12:59:37 AM
Subject: Re: [Smeagol-discuss] compilation problem for parallel smeagol.
Dear Sagar,
the reason for the problem I think is that the linpack routines can
not be compiled, which is becase the "-c" option is missing after ifort.
To use the linpack routines provided with smeagol you have to add the
following lines to your arch.make:
TRANSPORTFLAGS= -c $(FFLAGS)
SOURCE_DIR= ../
I also send you a pair of Makefile/arch.make that work on our xeon
machines. You can compare yours with those.
Cheers,
Ivan
ambavale sagar wrote:
> Dear all,
> After so many tries i can not compile parallel smeagol on my xeon dual
> processor (quad core) with intel fortran comiler and c compiler (both
> of version 10) lam-mpi and intel mkl. It shows error while compiling
> linpack. (though I have duly followed instructiions in readme file.) I
> tried to change optimization flag too (-tpp7 -O2 -axN -mp1 -arch SSE
> -mieee-fp) but it didn't worked.. I also tried to have LINPACK given by
> second option i.e. by uncommenting
> #If want to use SIESTA provided LINPACK subroutines
> # contained in file linpack.F you should uncomment
> # the lines below
> #
> #LINPACKOBJ=linpack.o
> #LINPACK=linpack
> #$(LINPACK): $(LINPACKOBJ)
> It didn't work.
>
> ***************************************************************************
> Error report is :
> ifort -c -g -DMPI ../NETransport/negf2k.F
> ifort -c -g -DMPI .../NETransport/localdos.F
> ifort -c -g ../NETransport/gaucheb.f
> (cd ../linpack; ifort *.f; \
> ar -rv linpack.smeagol.a *.o; \
> mv linpack.smeagol.a /Src)
> /opt/intel/fce/10.1.012/lib/for_main.o: In function `main':
> /export/users/nbtester/efi2linuxx86_nightly/branch-10_1/20080112_010000/libdev/frtl/src/libfor/for_main.c:(.text+0x26):
> undefined reference to `MAIN__'
> /tmp/ifortwMd9Rm.o: In function `zgedi_':
> zgedi.f:(.text+0x176): undefined reference to `zscal_'
> zgedi.f:(.text+0x22b): undefined reference to `zaxpy_'
> zgedi.f:(.text+0x4c0): undefined reference to `zaxpy_'
> zgedi.f:(.text+0x51e): undefined reference to `zswap_'
> /tmp/ifortKxK1vW.o: In function `zgefa_':
> zgefa.f:(.text+0xd7): undefined reference to `izamax_'
> zgefa.f:(.text+0x213): undefined reference to `zscal_'
> zgefa.f:(.text+0x321): undefined reference to `zaxpy_'
> ar: creating linpack.smeagol.a
> ar: *.o: No such file or directory
> mv: cannot stat `linpack.smeagol.a': No such file or directory
> make: *** [linpack.smeagol.a] Error 1
> [phy at localhost Src]$
>
> **************************************************************
> Changed part of my make.arch file is:
>
> SIESTA_ARCH=intel10-mkl10
> FC=ifort
> FC_ASIS=$(FC)
> #
> #FFLAGS= -O2 -mp1 -mieee-fp
> FFLAGS= -w -xP -O3 -mp1
> FFLAGS_DEBUG= -g
> LDFLAGS= -static
> COMP_LIBS=
> RANLIB=echo
> #
> NETCDF_LIBS=
> NETCDF_INTERFACE=
> DEFS_CDF=
> #from sgi64-lam(sagar)
> MPI_INTERFACE=libmpi_f90.a
> MPI_INCLUDE=/opt/MPI/lam-7.1.4/lam/include
> MPI_LIBS=-L/opt/MPI/lam-7.1.4/lam/lib -llamf77mpi -lmpi -llam
> DEFS_MPI=-DMPI
> #
> GUIDE=/opt/intel/mkl/10.0.1.014/lib/em64t/libguide.a
> LAPACK=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_lapack.a
> BLAS=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_em64t.a
> LIBS=$(LAPACK) $(BLAS) $(GUIDE) -lpthread -lsvml
> SYS=nag
> DEFS= $(DEFS_CDF) $(DEFS_MPI)
>
>
> **************************************************************
> Changed part of makefile is :
>
> # If you don't want to use your own LINPACK subroutines
> # you should comment the lines below
> #
>
> LINPACK=linpack..smeagol.a
> $(LINPACK):
> (cd ../linpack; $(FC) $(TRANSPORTFLAGS) *.f; \
> ar -rv linpack.smeagol.a *.o; \
> mv linpack.smeagol.a $(SOURCE_DIR)/Src)
>
> LINPACKOBJ = dcabs1..o zgedi.o zgefa.o
> dcabs1.o zgedi..o zgefa.o : $(LINPACK)
>
> # If want to use SIESTA provided LINPACK subroutines
> # contained in file linpack.F you should uncomment
> # the lines below
> #
> #LINPACKOBJ=linpack.o
> #LINPACK=linpack
> #$(LINPACK): $(LINPACKOBJ)
>
> # If you wish to provide your own lapack driver
> # subroutines you should uncomment the following lines
> #
> #SMEAGOLLAPACK = lapack.smeagol.a
> #$(SMEAGOLLAPACK):
> # (cd ../smeagolpack; $(FC) $(TRANSPORTFLAGS) *.f;\
> # ar -rv lapack.smeagol.a *.o; \
> # mv lapack.smeagol.a $(SOURCE_DIR)/Src)
>
> #SMEAGOLPACKOBJ = zsytf2.o zsytrf.o zsytri.o ieeeck.o ilaenv.o #zgebal.o
> #SMEAGOLPACKOBJ = zsytf2.o zsytrf.o zsytri.o
>
> #SMEAGOLLAPACK = Smeagol_lapack
> #$(SMEAGOLLAPACK) : $(SMEAGOLPACKOBJ)
>
> # If you wish to use vendor specific lapack driver
> # subroutines you should uncomment the following lines
> #
> SMEAGOLLAPACK =
> SMEAGOLPACKOBJ=
>
> # This is crude but will have to do for now.
> # Note : precision must be the first module
> ****************************************************************************
>
>
> Regards
> sagar
>
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--
=================================================
Ivan Rungger,
School of Physics and CRANN,
Trinity College Dublin,
Dublin 2, IRELAND
Phone: +353-1-8968454
Email: runggeri at tcd.ie
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