[Smeagol-discuss] compilation problem

[Ivan Rungger]

Dear Ambavale,

  from the error message it looks as if you have tried to build smeagol
on top of siesta-2.0 or higher. Smeagol is not compatible with this
versions of siesta, try to recompile it again using siesta-1.3f1p.

Cheers,

  Ivan

ambavale sagar wrote:
> Hi all & Stefano sir,
> I am trying to compile the Smeagol 1.0b with intel fortran10, mkl10
> and lam-mpi on my x86_64 quad core dual processor (xeon) workstation.
> I have parallel PWSCF and serial Siesta working. But when i give
> almost same arch.make file to Smeagol for parallel (or even serial)
> compillation it gives error like:
>
>  make
>
> Compilation architecture to be used: intel10-mkl10
> If this is not what you want, create the right
> arch.make file using the models in Sys
>
> Hit ^C to abort...
>
> ==> Information about compiler and flags
> sed  "s/SIESTA_ARCH/intel10-mkl10/g" version.F90 > temp0.F90
> sed  "s/FFLAGS/ /g" temp0.F90 > temp.F90
> ifort -c -w -xP -O3 -mp1  -DMPI temp.F90
>
> make[1]: Entering directory `/home/phy/smeagol.1.0b/Src/MPI'
> ifort -c -w -xP -O3 -mp1 -I/opt/MPI/lam-7.1.4/lam/include    
> mpi__include.f90
> if [ -z "" ] ; then  make kind_explorer ; fi
> make[2]: Entering directory `/home/phy/smeagol.1.0b/Src/MPI'
> ifort -c -w -xP -O3 -mp1 -I/opt/MPI/lam-7.1.4/lam/include    
> kind_explorer.f90
> ifort -o kind_explorer -static kind_explorer.o
> make[2]: Leaving directory `/home/phy/smeagol.1.0b/Src/MPI'
> The kind numbers for single and double precision reals follow
>  ===> Generating module files from templates...
>  Single:            4  Double:            8
>  Your computer's default precision real kind is            4
> 4 8
> ifort -c -w -xP -O3 -mp1 -I/opt/MPI/lam-7.1.4/lam/include    
> Interfaces.f90
> ifort -c -w -xP -O3 -mp1 -I/opt/MPI/lam-7.1.4/lam/include     -DMPI mpi.F
> echo libmpi_f90.a
> libmpi_f90.a
> make[1]: Leaving directory `/home/phy/smeagol.1.0b/Src/MPI'
> (cd fdf ; make module)
> make[1]: Entering directory `/home/phy/smeagol.1.0b/Src/fdf'
> ifort -c -w -xP -O3 -mp1    fdf.f
> ifort -c -w -xP -O3 -mp1    parse.f
> ifort -c -w -xP -O3 -mp1    fdf_mod.f
> ar  cru libfdf.a fdf..o fdf_mod.o parse.o
> echo libfdf.a
> libfdf.a
> cp libfdf.a ..
> make[1]: Leaving directory `/home/phy/smeagol.1.0b/Src/fdf'
> ifort -c -w -xP -O3 -mp1    -DMPI precision.F
> ifort -c -w -xP -O3 -mp1    -DMPI sys.F
> fortcom: Error: sys.F, line 22: Error in opening the compiled module
> file.  Check INCLUDE paths.   [PARALLEL]
>       use parallel, only : Node
> ----------^
> fortcom: Error: sys.F, line 41: Error in opening the compiled module
> file.  Check INCLUDE paths.   [PARALLEL]
>       use parallel, only : Node
> ----------^
> fortcom: Error: sys.F, line 72: Error in opening the compiled module
> file.  Check INCLUDE paths.   [PARALLEL]
>       use parallel, only : Node
> ----------^
> fortcom: Error: sys.F, line 30: Conflicting attributes or multiple
> declaration of name.   [NODE]
>       if (Node.eq.0) then
> ----------^
> fortcom: Error: sys.F, line 22: Name in only-list does not exist.   [NODE]
>       use parallel, only : Node
> ---------------------------^
> fortcom: Error: sys.F, line 60: Conflicting attributes or multiple
> declaration of name.   [NODE]
>          write(6,'(a,i4)') 'Stopping Program from Node: ', Node
> -----------------------------------------------------------^
> fortcom: Error: sys.F, line 41: Name in only-list does not exist.   [NODE]
>       use parallel, only : Node
> ---------------------------^
> fortcom: Error: sys.F, line 72: Name in only-list does not exist.   [NODE]
>       use parallel, only : Node
> ---------------------------^
> compilation aborted for sys.F (code 1)
> make: *** [sys.o] Error 1
> ############################################################
>  my input arch.make file is:
> SIESTA_ARCH=intel10-mkl10
> FC=ifort
> FC_ASIS=$(FC)
> #
> FFLAGS= -w -xP -O3 -mp1
> FFLAGS_DEBUG= -g
> LDFLAGS= -static
> COMP_LIBS=
> RANLIB=echo
> #
> NETCDF_LIBS=
> NETCDF_INTERFACE=
> DEFS_CDF=
> #from sgi64-lam(sagar)
> MPI_INTERFACE=libmpi_f90.a
> MPI_INCLUDE=/opt/MPI/lam-7.1.4/lam/include 
> MPI_LIBS=-L/opt/MPI/lam-7.1.4/lam/lib -llamf77mpi -lmpi -llam
> DEFS_MPI=-DMPI
> #
> GUIDE=/opt/intel/mkl/10..0.1.014/lib/em64t/libguide.a
> LAPACK=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_lapack.a
> BLAS=/opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_em64t.a
> LIBS=$(LAPACK) $(BLAS)  $(GUIDE)  -lpthread -lsvml
> SYS=nag
> DEFS= $(DEFS_CDF) $(DEFS_MPI)
> #
> .F.o:
>     $(FC) -c $(FFLAGS) $(INCFLAGS)  $(DEFS) $<
> .f.o:
>     $(FC) -c $(FFLAGS) $(INCFLAGS)   $<
> .F90.o:
>     $(FC) -c $(FFLAGS) $(INCFLAGS)  $(DEFS) $<
> .f90.o:
>     $(FC) -c $(FFLAGS) $(INCFLAGS)   $<
> #
> ###################################################################
>
>
> Sagar Ambavale
> Research student
> The M.S.University of barroda
> India
>
>
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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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