[SCore-users] Compiling GROMACS

James O'Dell James_ODell at brown.edu
Sat Apr 5 08:14:36 JST 2003


For some reason, I cannot get gromacs to compile with x using the
supplied scripts, but I did find another way.

Most of the gromacs code is serial, so I compile GROMACS of it
without MPI. The makes the compilation much faster.

Gromacs has an option to add a suffix to commands and allows one
to make the mpi file separately, so I compile those file with MPI
enabled, X turned off and a suffix of _mpi.

Jim

On Tue, 2003-04-01 at 19:17, kameyama at pccluster.org wrote:
> In article <1049233954.21103.109.camel at cr1> "James O'Dell" <James_ODell at brown.edu> wrotes:
> > I am trying to compile GROMACS with X enabled.
> > Mow the SCore compilers try to link all of the programs
> > statically but X likes to be linked dynamically.
> 
> 1. Please try -nostatic option.
>    SCore compilers default is statically link.
>    But -nostatic option force dybamically link.
>    Note that SCore is not able to checkpoint/restore
>    dynamically program.
> 
> 2. Please add -ldl library to link the program.
>    If you add this option, you can X11 programs to be statically linked.
>    SCore demo program (mandel and pmandel) is linked with -ldl option.
> 
>                        from Kameyama Toyohisa



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