Hi,
This lurker got-us:
a commit was made to src/sander/constants.f
without sync-ing to AmberTools/src/sqm/constants.f or
AmberTools/src/rism/constants.f
The compilation of sander failed:
pgf90 -c -O1 -Mfree -I../../AmberTools/src/pbsa -I../../AmberTools/src/sqm -I../../AmberTools/src/rism
-I../../include -I/nfs/10/srb/12/include -o mdread.o _mdread.f
PGF90-S-0084-Illegal use of symbol no_input_value_float - not public entity of module (_mdread.f: 86)
0 inform, 0 warnings, 1 severes, 0 fatal for mdread1
because the -I option specifies module search paths and pgi
apparently does not search the current directory first.
scott
On Thu, May 19, 2011 at 03:00:19AM -0400, Scott Brozell wrote:
> On Wed, May 18, 2011 at 07:41:22PM -0700, Andreas Goetz wrote:
> > On May 18, 2011, at 5:35 AM, case wrote:
> > > On Tue, May 17, 2011, Andreas Goetz wrote:
> > >>
> > >> On a different note, we now have 3 copies of constants.f in AMBER:
> > >> This (together with the way Fortran modules are handled at present in
> > >> AMBER) is a recipe for disaster. All three files need to be in sync. I
> > >> believe that anything which is shared among different programs or
> > >> libraries should reside in one common place. Two questions:
> > >>
> > >> Is there any reason for copying Fortran module files around instead of
> > >> adding the corresponding directory to the module search path (-J for
> > >> gfortran and -module for ifort)?
> > >
> > > We used to support other compilers, and no one knew of a consistent way to
> > > specify a module path. If we can make it work, paths should be bette than
> > > copying.
>
> > I went through some man pages: The flag -I adds a search path for module files with GNU gfortran, g95, Intel ifort and PGI pgf90.
> >
> > I tested this with
> > gfortran 4.4.5 on OS X
> > ifort 11.1.064 on openSuSE 11.2
> > pgf90 10.5-0 on CentOS 5.5
> >
> > If it works then, instead of copying the module files, we can add a list of -IdirA -IdirB etc to the link command.
> >
>
> For ifort and pgf90,
> even though the man pages indicate that -I is for include files
> and -module is for module files, -I works.
>
> In Columbus we went whole hog and made a special directory
> called shared_modules and used -module and variants for moving
> the .mod files. So far, after a couple of years, this works fine.
> But this might be overkill for Amber.
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Received on Fri Dec 30 2011 - 19:00:02 PST
