about this bug alert

From: jz7_at_duke.edu
Date: Thu Jun 03 2004 - 09:46:54 CDT

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Dear all,

When I tried to run MD to equilibrate my system. NAMD gave such error
message. Could anyone help me to solve this?

Thanks a lot!

PS. I made some modification to the charmm parameter file and topology
file. But everything seems good (including the minimization step) before
equilibration.

Here is part of the log file:

OPENING EXTENDED SYSTEM TRAJECTORY FILE
BUG ALERT: Bad global exclusion count!

BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: BUG ALERT: Bad global exclusion count!

BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.

Stack Traceback:
  [0] _ZN10Controller9integrateEv+0x10c [0x81a8f6c]
  [1] _ZN10Controller9algorithmEv+0x718 [0x81a4480]
  [2] _ZN10Controller9threadRunEPS_+0xc [0x81b0b64]
  [3] namd2 [0x82756a4]
  [4] Charm++ Runtime: Converse thread (qt_args+0x66 [0x82c1716])
req_handle_abort called
Fatal error on PE 0> BUG ALERT: Bad global exclusion count!

BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.

• Next message: Uday Chippada: "How do we know the velocity?"
• Previous message: Zhong Wenyu: "Re: "GRADIENT TOLERANCE: nan", Why?"
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