http://bugzilla.ambermd.org/show_bug.cgi?id=12
--- Comment #3 from Scott Brozell <sbrozell.scripps.edu> 2008-02-23 00:01:16 PST ---
The nightly tests use
Feb 22 11:34:39pm slater.scripps.edu 1080> /tmp/amber10/test/4096wat g95 -v
Using built-in specs.
Target:
Configured with: ../configure --enable-languages=c
Thread model: posix
gcc version 4.0.3 (g95 0.91!) Aug 29 2007
Feb 22 11:36:43pm slater.scripps.edu 1089> /tmp/amber10/test/4096wat lamhalt
LAM 7.1.2/MPI 2 C++ - Indiana University
Note also that the problem depends on the number of processors:
| Running AMBER/MPI version on 1 nodes
NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 2.28 PRESS = 0.0
Etot = -39287.0719 EKtot = 55.5759 EPtot = -39342.6479
| Running AMBER/MPI version on 2 nodes
NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 51.85 PRESS = 0.0
Etot = -38076.6014 EKtot = 1266.0464 EPtot = -39342.6479
| Running AMBER/MPI version on 4 nodes
NSTEP = 1 TIME(PS) = 1.001 TEMP(K) = 77.45 PRESS = 0.0
Etot = -37451.3761 EKtot = 1891.2717 EPtot = -39342.6479
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Received on Sun Feb 24 2008 - 06:07:51 PST
