Log file opened on Wed Aug 26 16:41:03 2009
Host: pople4700.psc.teragrid.org  pid: 3506712  nodeid: 3  nnodes:  4
The Gromacs distribution was built Wed Sep 24 22:56:05 EDT 2008 by
blood@pople4700.psc.teragrid.org (Linux 2.6.16.46-0.12-default ia64)


Max number of connections per atom is 2
Total number of connections is 532
Max number of graph edges per atom is 2
Total number of graph edges is 532
Table routines are used for coulomb: FALSE
Table routines are used for vdw:     FALSE
Cut-off's:   NS: 1   Coulomb: 1   LJ: 1
System total charge: 1.000
Removing pbc first time
Done rmpbc
Initiating Steepest Descents
Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest, initial mass: 1604
Started Steepest Descents on node 3 Wed Aug 26 16:41:03 2009

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Miyamoto and P. A. Kollman
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid
Water Models
J. Comp. Chem. 13 (1992) pp. 952-962
-------- -------- --- Thank You --- -------- --------

Steepest Descents:
   Tolerance (Fmax)   =  1.00000e+03
   Number of steps    =          100
Going to use C-settle (133 waters)
wo = 0.333333, wh =0.333333, wohh = 3, rc = 0.08165, ra = 0.0384897
rb = 0.0192449, rc2 = 0.1633, rone = 1, dHH = 0.1633, dOH = 0.1
Grid: 4 x 6 x 4 cells
Configuring nonbonded kernels...
Testing ia64 CPU family...Unknown Itanium
You might want to test the speed without assembly kernels
by setting the NOASSEMBLYLOOPS environment variable.
Using single precision ia64 assembly kernels.

Finished mdrun on node 3 Wed Aug 26 16:41:04 2009