As a followup, the error was not reproduced with intel compilers using
the same version of OpenMPI (I'm keeping my 4 different MPIs separate,
mpich/openmpi for GCC4.4.1 and Intel 11.1.069).
On Wed, Apr 14, 2010 at 6:57 PM, Jason Swails <jason.swails.gmail.com> wrote:
> The following error comes from Ubuntu/GCC 4.4.1/ OpenMPI 1.4.1, same
> as I reported for the last RC. Last time I thought this was due to an
> incomplete clean target, but this was from a fresh untar-ing.
>
>
> possible FAILURE: check dhfr_ips.out.dif
> /home/swails/newamber/04.14.10/gnu/openmpi/amber11/AmberTools/test/nab
> 25c25
> < enb: 8309.557495185
>> enb: -11638641618234765154767312878552864616695217004468911783182641478056274452628708179251785728599975343420744253111734424299675874482511205062195045770225176707303905139726211051741410666871186002187428584839726545654841555151308847075780154752422176256645123066822090985156807172927653974239579471872.000000000
> 30c30
> < Total: -71661.577948009
>> Total: -11638641618234765154767312878552864616695217004468911783182641478056274452628708179251785728599975343420744253111734424299675874482511205062195045770225176707303905139726211051741410666871186002187428584839726545654841555151308847075780154752422176256645123066822090985156807172927653974239579471872.000000000
> ### Maximum absolute error in matching lines = 1.16e+298 at line 25 field 2
> ### Maximum relative error in matching lines = 1.40e+294 at line 25 field 2
>
> I also posted this on the wiki. Strange error I haven't gotten
> before... I'm also going to test mpich2 and intel compilers...
>
> All the best,
> Jason
>
> --
> ---------------------------------------
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
>
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Wed Apr 14 2010 - 16:30:02 PDT
