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

From: Robert Duke <>
Date: Fri, 31 Mar 2006 16:35:50 -0700

Dave -
I just do a copy of *.mod myself for pmemd, sort of as a "just-in-case"
measure, and that worked; I think that may be why I did not have problems
with the caps mod names too, and it is incredibly simple...
Regards - Bob

----- Original Message -----
From: "David A. Case" <>
To: <>
Sent: Friday, March 31, 2006 6:24 PM
Subject: Re: amber-developers: pathscale, gfortran and pgf90 problems

> 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 sander/Makefile
> But why does no other compiler need typesizes.mod?
> 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?
> JTM: why did you not copy typesizes.mod when copying netcdf.mod??
> ...dac
> [I feel *much* more justified in the decision to make -nobintraj the
> default.
> The number of ways that netcdf can fail is quite impressive.]
> As a corollary, please only attach netCDF problems after you think that
> everything else is working -- let's get the most important bugs looked
> first.
Received on Wed Apr 05 2006 - 23:49:32 PDT
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