[gmx-users] Error gmxtest

[Nadia Gro]

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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