Hello,
sander.PUPIL I believe only works with a serial compilation (incompatible
with MPI for amber10). At least this has been hard-coded into the
makefile. You can get around this by going back to $AMBERHOME/src/ and
re-running configure_amber to run in serial. Supposing you have ifort,
cd $AMBERHOME/src/
./configure_amber ifort
Then try and make sander.PUPIL. If you have gfortran, replace ifort with
gfortran, etc.
Good luck!
Jason
P.S. Also don't forget to make clean before you try to build sander.PUPIL
On Mon, Jun 7, 2010 at 1:13 AM, Aurum Bai <javacfish.yahoo.com.cn> wrote:
> Hello, everyone
>
> I follow the installation of PUPIL successfully. But when I compile the
> source of sander.PUPIL, I get the err information as below:
>
> "mv libdivcon.a ../src/qmmm/
> make[2]: Leaving directory `/home/bai/workdir/amber10/src/dcqtp/mod'
> make[1]: Leaving directory `/home/bai/workdir/amber10/src/dcqtp'
> ./checkserconf
> Error: ../config_amber.h is not set up for serial compilation
> make: *** [checkserconf] Error 1
> "
>
> what is wrong with it? How do I solve it?
>
> Thanks
>
> javacfish
>
>
>
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sun Jun 06 2010 - 23:30:05 PDT
