On Tue, Aug 30, 2011 at 7:05 PM, xiaodong huang <xiaodonghuang2060.gmail.com
> wrote:
> I mean './configure_amber/at gfortran' or './configure_amber ifort' (I use
> amber10).
> Does the "-g" refer to -guncompat in ./configure_amber/at (amber10) or
> "./configure -95" (amber11)?
> Thanks a lot.
>
No. -g compiles with debug symbols, and is typically only used by people
hunting bugs or something of the sort.
The only error messages that I can think of that would be compiler-dependent
would be bad namelist entries (since the implementation of a fortran
namelist is compiler-dependent), and unfortunately there is no way around
this that I know of. The error written to the mdout file in this case is
"error in reading namelist cntrl", but in my test the gnu compiler printed a
more verbose error (which it probably shouldn't have since amber has a
condition dealing with an error in the read), whereas the intel compiler
didn't print any additional error messages.
If you're talking about something different you will need to be more
specific and clear about what errors you're seeing and the differences you
see with various compilers.
HTH,
Jason
> xiaodong
>
> On Tue, Aug 30, 2011 at 6:05 PM, Ray Luo, Ph.D. <ray.luo.uci.edu> wrote:
>
> > You mean the "-g" flag???
> >
> > Ray
> >
> > On Tue, Aug 30, 2011 at 2:17 PM, xiaodong huang
> > <xiaodonghuang2060.gmail.com> wrote:
> > > Dear Amberers,
> > > I remember sander compiled by a specific compiler (gfortran?) can show
> > full
> > > error mesage when there is something wrong
> > > in the mdin file (sander -i mdin), while that by another compiler
> > (ifort?)
> > > can not do so.
> > > I think I see it somewhere in the amber mailist before, but I can not
> > find
> > > it now.
> > > I am re-compilering amber now, so I wish I can get a sander which can
> > give
> > > more detailed information when I debug the mdin file.
> > > I am wondering if you can tell me which compiler can give me more
> > detailed
> > > error message?
> > > Thank you so much for your kind help.
> > > yours
> > > xiaodong
> > > school of chemistry
> > > ANU
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> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
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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 Tue Aug 30 2011 - 17:00:02 PDT
