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

From: Scott Brozell <>
Date: Fri, 31 Mar 2006 17:38:46 -0700


On Fri, 31 Mar 2006, David A. Case wrote:

> On Fri, Mar 31, 2006, Scott Brozell wrote:
> >
> > pgf90 -c -tp px -fast -Mfree -o bintraj.o _bintraj.f
> > PGF90-F-0004-Unable to open MODULE file typesizes.mod (_bintraj.f: 98)
> >
> > The problem is that only ./dcqtp/mod/Makefile is using MODULEDIR.
> > It looks like several pieces are going to be needed:
> > 1. get ../netcdf/include as the argument of $(MODULEDIR)
> > 2. put the above into the right compiler invocations in
> But why does no other compiler need typesizes.mod?

I don't know, but I am sure that all other compilers have not been tested.
Note that netcdf.mod, which is human readable with pgf90, contains:

use typesizes private

Probably, this is just another Fortran detail that the standard left
unspecified; the recipe for portability issues.

> The "simple" fix is this: after line 253 in src/sander/Makefile, add the
> line:
> <tab> cp ../netcdf/include/typsizes.mod .
> Then typsizes.mod would be in the sander directory (just like
> and no magic is necessary.
> Can you try that idea?

Yes; the compilation succeeds.

Note that the cp command should be put in the NETDCF.mod target also.

Also for pgf90 there must be whitespace after the -module
moduledir="-module "
pgf90 -c -tp px -fast -Mfree -module../../sander -o ../obj/qm_mm_div.o
pgf90-Warning-Unknown switch: -module../../sander
PGF90-F-0004-Unable to open MODULE file qmmm_module.mod
(../obj/qm_mm_div.f: 66)
PGF90/any Linux/x86 6.0-8: compilation aborted

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