[Smeagol-discuss] the problem of smeagol installation.

[Jimmy Tang]

On Fri, Aug 14, 2009 at 08:00:30PM +0800, caqhero wrote:
>    Dear Jimmy,
>    thank you for your suggestion. I want to ask whether MPICH package can
>    affect compiling of the siesta.F file. the compiler I used is gfortran,
>    and the siesta package is siesta.1.3p.the detail of the errors are as
>    follows:
>    [ms at localhost ~]$ cd ./smeagol.1.0b/Src
>    [ms at localhost Src]$ make
>    Compilation architecture to be used: mpif90
>    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/mpif90/g" version.F > temp0.F
>    sed  "s/FFLAGS/ /g" temp0.F > temp.F
>    /usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2   -DMPI
>    temp.F
>    /usr/MPICH-install/bin/mpif90 -c -m64 -mtune=opteron -mieee-fp -O2
>    -DMPI siesta.F
>     In file siesta.F:736
>                write(6,'(a47)') 'smeagol: The size of the cell is being exp
>                                1
>    Error: Unterminated character constant beginning at (1)
>     In file siesta.F:737
>                write(6,'(a46)') 'smeagol:  along the perpendicular directio
>                                1
>    Error: Unterminated character constant beginning at (1)
>    make: *** [siesta.o] Error 1
>    [ms at localhost Src]$
> 


As far as I know it the version of MPICH used to link against smeagol
should not cause that error message to appear. It looks like a problem
with gfortran, do you have access to the intel, pathscale or portland
fortran compilers? they are more tested than gfortran is for smeagol


Jimmy

-- 
Jimmy Tang
Trinity Centre for High Performance Computing,
Lloyd Building, Trinity College Dublin, Dublin 2, Ireland.
http://www.tchpc.tcd.ie/ | http://www.tchpc.tcd.ie/~jtang
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