Hi Matheus
> mpif90 is taken from /usr/local/bin which i compiled first using the
> intel
> compilers.
You should use the mpif90 that the OpenMPI installation you ran as part of
the install below created.
> cd $AMBERHOME/ambertools/src
> ./configure -nopython -mpi intel
>
> cd $AMBERHOME/src
> make parallel
You need to do a couple of things here before building parallel. Firstly I
would always do a 'make clean' in $AMBERHOME/src and
$AMBERHOME/AmberTools/src
You also need to run the $AMBERHOME/AT15_Amber.py script after EVERY run of
configure. So you process should be:
cd $AMBERHOME/src
make clean
cd ../AmberTools/src
make clean
./configure -mpi intel (- no python if you want)
cd ../../
./AT15_Amber.py
cd src
make parallel
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Thu Sep 22 2011 - 11:30:03 PDT
