The build worked fine for me on kraken:
unzip
set AMBERHOME
./configure -crayxt5 pgi
make install
make clean
./configure -crayxt5 -mpi pgi
make install
The -crayxt5 flag also disables components that are known to fail on Kraken.
All the best,
Jason
On Thu, Apr 7, 2011 at 8:54 PM, Thomas Cheatham <tec3.utah.edu> wrote:
>
> Re: "my bad" $AMBERHOME not set appropriately...
>
> (bad news: experienced user == trusting idiot / not so experienced)
> (good news: we now know what happens if you do not set $AMBERHOME)
>
> I apologize for the hassle and frustration especially as release is
> pending. What I did was simply extract the tarball, configure intel and
> make install. Nothing else. I uncovered the python issue and then
> started to blindly dig on multiple machines (like kraken, exposing other
> issues that we still should resolve).
>
> I think, however, that Jason nailed it. I wasn't setting $AMBERHOME and
> had assumed that it was automagically set. As this had been set
> automatically previously, I assumed it was set in the current install
> scripts and I was incorrect in this assumption. [It may be beneficial
> behavior however to reset AMBERHOME automatically however!].
>
> The only upside is that perhaps we now know what errors people will see if
> they do not set AMBERHOME correctly; perhaps this has not been a total
> waste of all of our time...
>
> I went back and did it all over again, this time with $AMBERHOME set
> appropriately and after the wait for recompile, it all worked fine.
>
> --tom
>
>
>
>
>
>
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Apr 08 2011 - 09:00:04 PDT
