Re: amber-developers: pathscale, gfortran and pgf90 problems

From: David A. Case <case.scripps.edu>
Date: Fri, 31 Mar 2006 18:33:38 -0700

> On Fri, Mar 31, 2006, Thomas E. Cheatham, III wrote:
> >
> >
> > ** pentium, pgf90, -bintraj (configure -bintraj pgf90)
> >
> > -- bintraj.f cannot find typesizes.mod

Should be fixed in CVS.

> >
> > ** opteron, gfortran, -bintraj (configure -bintraj gfortran)
> >
> > -- mismatch with underscores between netcdf and amber

I vote to place gfortran problems at low priority for now.

> >
> > ** opteron | pentium, pathscale, -bintraj
> >
> > -- configure for netcdf fails; pathf90 does not produce an
executable,

Can you study $AMBERHOME/src/netcdf/src/config.log to try to figure out
the problem? There may be other downstream errors, but this should be
tackled first.


As for ptraj: as far as I can see, ptraj does not make any use of the
Fortran interface for netcdf. So, can we (you) concentrate on getting
netCDF files written using gcc. (Testing with other C compilers should
also
be a lower priority item, as far as I can see.)

...thx....dac
Received on Wed Apr 05 2006 - 23:49:31 PDT
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