Re: [AMBER] AmberTools Parallel Compilation Issue

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 22 Sep 2011 21:10:18 -0400

On Thu, Sep 22, 2011 at 8:59 PM, Matteo Guglielmi
<matteo.guglielmi.epfl.ch>wrote:

> Dear All,
>
> I could successfully compile ambertools (serial), amber (serial)
> and amber (parallel) using the intel compilers (11.0) and intel
> mpi (3.2.2) on a cluster Debian Squeeze based.
>

What is the minor version number on your intel compilers? I use 11.1.069
and it works just fine... I've never seen these error messages before.


>
> The compilation of ambertools (parallel) runs smoothly until it
> reaches nab.c:
>
> ### ERROR MESSAGE ###
> make[1]: Leaving directory
> `/share/lcbc/software/amber-11-intel/AmberTools/src/pbsa'
> (cd nab && make parallel )
> make[1]: Entering directory
> `/share/lcbc/software/amber-11-intel/AmberTools/src/nab'
> mpicc -DBINDIR='"/software/amber-11-intel/bin"' \
> -DINCDIR='"/software/amber-11-intel/include"' \
> -DLIBDIR='"/software/amber-11-intel/lib"' \
> -DCC='"mpicc"' -DCPP='"/software/amber-11-intel/bin/ucpp
> -l"'
> -DFLIBS='"-L/software/amber-11-intel/lib -lsff_mpi -lpbsa
> /software/amber-11-intel/lib/arpack.a
> /software/amber-11-intel/lib/lapack.a
> /software/amber-11-intel/lib/blas.a
> /software/amber-11-intel/lib/libnetcdf.a
> -L/software/intel/Compiler/11.0/084/lib/intel64/ -lifport -lifcore
> -lsvml "' \
> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> \
> -shared-intel -o /software/amber-11-intel/bin/mpinab
> nab.c
> nab.c(159): error: missing closing quote
> CPP, cppstring, INCDIR,
> ^
>
> nab.c(261): error: missing closing quote
> sprintf( word, " %s ", FLIBS );
> ^
>
> compilation aborted for nab.c (code 2)
> ### END ERROR MESSAGE ###
>
> Any advise about this error message?
>
> PS: using the intel compilers 11.1 insead of 11.0 I cannot even
> compile the serial version of ambertools... I get very similar
> error messages which I'm not reporting here.
>

> Thanks,
>
> --matt
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Sep 22 2011 - 18:30:03 PDT
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