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
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Received on Wed Apr 14 2010 - 16:00:05 PDT
