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" <case.scripps.edu>
To: <amber-developers.scripps.edu>
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
netcdf.mod),
> 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
at
> first.
>
>
Received on Wed Apr 05 2006 - 23:49:32 PDT
