Dear David,
while ERROR for dec+water complex test is clear, I do not know what to make
of this one:
FAILED. Check files in acetonitrilRF
from /gmxtest/complex/acetonitrilRF/md.log:
Initializing LINear Constraint Solver
number of constraints is 526
average number of constraints coupled to one constraint is 0.0
Rel. Constraint Deviation: Max between atoms RMS
Before LINCS 0.004201 766 767 0.001573
After LINCS 0.000001 481 482 0.000000
Constraining the coordinates at t0-dt (step -1)
Rel. Constraint Deviation: Max between atoms RMS
Before LINCS 0.000121 796 797 0.000045
After LINCS 0.000001 685 686 0.000000
Started mdrun on node 0 Thu Apr 3 14:52:16 2008
Initial temperature: 326.674 K
Configuring nonbonded kernels...
Testing AMD 3DNow support... not present.
Testing ia32 SSE support... present.
-------------------------------------------------------
Program mdrun, VERSION 3.3.2
Source code file: network.c, line: 437
Routine should not have been called:
gmx_sumi
-------------------------------------------------------
Please advise, thank you!
Nadia
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