AMBER 6 crash

From: Oliver Zerbe <>
Date: Wed 12 Jul 2000 14:22:23 +0200

dear AMBER experts,

during an unrestrained MD simulation, that has already calculated a 600
ps trajectory, I have suddenly encountered a crash with the following
error message accompanied by a coredump:

333 Scalar Real raised by a scalar Real has negative base.

 Beginning of Traceback:
  Interrupt at address 513401a in routine '_lwp_killm'.
  Called from line 32 (address 510106a) in routine 'raise'.
  Called from line 127 (address 416072d) in routine 'abort'.
  Called from line 56 (address 1003306d) in routine '_libmerror'.
  Called from address 1001103c in routine 'ARERP%'.
  Called from address 1004002a in routine 'RTOR%'.
  Called from line 1307 (address 104622b) in routine 'RTOR%'.
  Called from address 104622b in routine 'RUNMD'.
  Called from line 912 (address 1742d) in routine 'SANDER'.
  Called from line 334 (address 437661c) in routine '$START$'.
 End of Traceback.

I assume that the exponent is smaller than 1 so that the calculation
yields complex numbers, but, to be honest, I have really no idea were to
look for the problem. Does anyone have a hint? The latest restart
coordinates look fine, nothing unusual.

Your help is appretiated a lot, best regards,

Received on Wed Jul 12 2000 - 05:22:23 PDT
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