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

From: Scott Brozell <>
Date: Fri, 31 Mar 2006 15:35:24 -0700


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

> On Fri, Mar 31, 2006, Scott Brozell wrote:
> >
> > The problem is that typesizes.mod lives in
> > src/netcdf/include
> > There are several ways to fix this.
> > The obvious way is to add a module search path:
> > pgf90 -module ../netcdf/include
> >
> > For ifort the syntax is
> > -I
> This sounds like you just need to change the "moduledir" variable in
> configure. That is, after line 701, add the line:
> moduledir="-module"
> We already do this for absoft and Sun compilers, without problems.

I added it, cleaned, reconfigured, but still got

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 sander/Makefile

If you send me the changes then I'll test them, otherwise I'll take a look
at this in a few hours.

Received on Wed Apr 05 2006 - 23:49:32 PDT
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