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
> _______________________________________________
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Oct 06 2011 - 17:00:03 PDT
