ABF with Alpha colvar can't be used on supercomputer?

From: Yun Luo (luoyun724_at_gmail.com)
Date: Wed Sep 28 2011 - 15:38:02 CDT

Dear NAMD developers,

I want to use ABF with colvar "alpha" for a ten-alanine peptide. It seems work when I tested my script on linux cluster. But when I use NAMD2.8 on Blue Gene/P supercomputer, the output gives error message as below:
colvars: ----------------------------------------------------------------------
colvars: Initializing a new collective variable.
colvars: # name = alpha
colvars: Initializing a new "alpha" component.
colvars: # componentCoeff = 1 [default]
colvars: # componentExp = 1 [default]
colvars: # period = 0 [default]
colvars: # wrapAround = 0 [default]
colvars: # psfSegID = HLX
colvars: # hBondCoeff = 0.5
colvars: # hBondCutoff = 3.3
colvars: # hBondExpNumer = 6
colvars: # hBondExpDenom = 8
colvars: Error: cannot add atoms to a dummy group.
colvars: If this error message is unclear, try recompiling with -DCOLVARS_DEBUG.
FATAL ERROR: Error in the collective variables module: exiting.
-----------------------------------------------------------------------------------------

Is this a bug related to supercomputer version?
My colvar and abf input file is shown as below:
colvarsTrajFrequency 100
colvarsRestartFrequency 100

colvar {
  name alpha
  width 0.1
  lowerboundary 0.0
  upperboundary 1.0
  lowerwallconstant 10.0
  upperwallconstant 10.0
  extendedLagrangian on

  alpha {
       residuerange 1-10
       psfSegID HLX
       hbondcoeff 0.5
       angleref 88
       angletol 15
       hbondcutoff 3.3
       hbondexpnumer 6
       hbondexpdenom 8
}
}

abf {
  colvars alpha
  fullSamples 10000
  applyBias yes
  outputFreq 100
  hideJacobian no
}

Thanks !

Lyna

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