Thanks a lot. That solved that problem, now this error is coming up:
________________________
mpif90 -c -O3 -freeform -o nonbond_list.o _nonbond_list.f
cpp -traditional -P -DBINTRAJ -DMPI ncsu-cv-DISTANCE.f >
_ncsu-cv-DISTANCE.f
mpif90 -c -O3 -freeform -o ncsu-cv-DISTANCE.o _ncsu-cv-DISTANCE.f
module ncsu_cv_DISTANCE
^
pathf95-855 pathf90: ERROR NCSU_CV_DISTANCE, File = _ncsu-cv-DISTANCE.f,
Line = 124, Column = 8
The compiler has detected errors in module "NCSU_CV_DISTANCE". No module
information file will be created for this module.
call PBC_r2f(r1, f1)
^
pathf95-1500 pathf90: ERROR PBC_DISTANCE, File = _ncsu-cv-DISTANCE.f, Line =
244, Column = 17
The overall size of the dummy argument array is greater than the size of
this actual argument.
call PBC_r2f(r2, f2)
^
pathf95-1500 pathf90: ERROR PBC_DISTANCE, File = _ncsu-cv-DISTANCE.f, Line =
245, Column = 17
The overall size of the dummy argument array is greater than the size of
this actual argument.
call PBC_r2f(r1, f1)
^
pathf95-1500 pathf90: ERROR PBC_DISTANCE_D, File = _ncsu-cv-DISTANCE.f, Line
= 302, Column = 17
The overall size of the dummy argument array is greater than the size of
this actual argument.
call PBC_r2f(r2, f2)
^
pathf95-1500 pathf90: ERROR PBC_DISTANCE_D, File = _ncsu-cv-DISTANCE.f, Line
= 303, Column = 17
The overall size of the dummy argument array is greater than the size of
this actual argument.
pathf95: PathScale(TM) Fortran Version 2.4 (f14) Thu Oct 6, 2011 20:22:54
pathf95: 1532 source lines
pathf95: 5 Error(s), 0 Warning(s), 0 Other message(s), 0 ANSI(s)
pathf95: "explain pathf95-message number" gives more information about each
message
make[1]: *** [ncsu-cv-DISTANCE.o] Error 2
make[1]: Leaving directory
`/working002b/chem_eng3/dcantu/amber_hpc4/amber11/src/sander'
make: *** [parallel] Error 2
____________________________________
Any ideas?
Thanks,
David
On Thu, Oct 6, 2011 at 6:40 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, Oct 6, 2011 at 6:26 PM, David Cantu <cantudav.amber.gmail.com
> >wrote:
>
> > Dear Amber Users and Developers,
> >
> > I have installed AmberTools 1.4 and Amber11 before, but now I am
> installing
> > it on a differnt machine, and errors I had not seen before are showing. I
> > was able to solve several of them, but for this one I do not know how:
> > ___________________________________________________________
> > make[2]: Entering directory
> > `/working002b/chem_eng3/dcantu/amber_hpc4/amber11/AmberTools/src/sqm'
> > cpp -traditional -P -DBINTRAJ -DMPI constants.f > _constants.f
> > mpif90 -c -O3 -freeform -o constants.o _constants.f
> > cpp -traditional -P -DBINTRAJ -DMPI qmmm_qmtheorymodule.f >
> > _qmmm_qmtheorymodule.f
> > mpif90 -c -O0 -freeform -o qmmm_qmtheorymodule.o _qmmm_qmtheorymodule.f
> > make[2]: Leaving directory
> > `/working002b/chem_eng3/dcantu/amber_hpc4/amber11/AmberTools/src/sqm'
> > cp ../../AmberTools/src/sqm/qmmm_qmtheorymodule.mod .
> > cp: cannot stat `../../AmberTools/src/sqm/qmmm_qmtheorymodule.mod': No
> such
> > file or directory
> > make[1]: *** [qmmm_qmtheorymodule.o] Error 1
> > make[1]: Leaving directory
> > `/working002b/chem_eng3/dcantu/amber_hpc4/amber11/src/sander'
> > make: *** [parallel] Error 2
> > _______________
> >
> > However, present in AmberTools/src/sqm/ is this file:
> > QMMM_QMTHEORYMODULE.mod
> > I changed the name to all lower case, and the same error came back, and
> the
> > file was changed to upper case again.
> >
> >
> > Anyway, in this machine all I really need is the parallel sander. The
> error
> > appears to come from sqm.
> >
> > Does anyone know how to solve this error? If not, how can I install
> > parallel
> > sander only?
> >
>
> Parallel sander requires this file. What you should do is change (in the
> Makefile or depend file in $AMBERHOME/src/sander) the cp command to
> all-uppercase. Some compilers, for whatever reason, decide they want
> everything uppercase in created module files. Once the cp command finds
> the
> appropriate file, your compilation should go along fine. Specifically,
> look
> for the string sequence:
>
> cp ../../AmberTools/src/sqm/qmmm_qmtheorymodule.mod .
>
> in one of those files. This will be fixed in Amber 12, since we switch to
> using include paths (which will allow the compiler to pick up whatever
> module name it wants from those directories).
>
> HTH,
> Jason
>
>
> >
> > Thank you,
> >
> > David
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Oct 06 2011 - 18:30:02 PDT
