From: Xiaoqing Wang (kitty_wxq_at_yahoo.com.cn)
Date: Mon Jan 24 2005 - 01:26:21 CST
Dear all
When I make minimization of system use "namd2", the fatal as follow
Info: Entering startup phase 3 with 38487 kB of memory in use.
Info: PATCH GRID IS 6 (PERIODIC) BY 6 (PERIODIC) BY 3 (PERIODIC)
Info: REMOVING COM VELOCITY -0.0312736 0.0148738 -0.00619209
BUG ALERT: Mother atom with hydrogenGroupSize of 0!
BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: BUG ALERT: Mother atom with hydrogenGroupSize of 0!
BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.
Stack Traceback:
[0] _ZN11WorkDistrib15createAtomListsEv+0xce1 [0x824dc89]
[1] _ZN11WorkDistrib17createHomePatchesEv+0x49 [0x824ce3d]
[2] _ZN4Node7startupEv+0x31d [0x81fdbcd]
[3] _ZN12CkIndex_Node18_call_startup_voidEPvP4Node+0x13 [0x81fd8a7]
[4] CkDeliverMessageFree+0x21 [0x827c1f9]
[5] _Z15_processHandlerPvP11CkCoreState+0x393 [0x827d5e3]
[6] CmiHandleMessage+0x1d [0x82b5e25]
[7] _ZN9ScriptTcl7suspendEv+0xc [0x8228c68]
[8] _ZN9ScriptTcl9initcheckEv+0x7c [0x822b1c4]
[9] _ZN9ScriptTcl12Tcl_minimizeEPvP10Tcl_InterpiPPc+0x1e [0x8229412]
[10] TclInvokeStringCommand+0x6d [0x82c5145]
[11] namd2 [0x82f946a]
[12] Tcl_EvalEx+0x1cc [0x82f9b7c]
[13] Tcl_EvalFile+0x157 [0x82f1ce3]
[14] _ZN9ScriptTcl3runEPc+0x1a [0x8228b76]
[15] main+0x1d2 [0x80ed052]
[16] __libc_start_main+0xe4 [0xadaad4]
[17] sinh+0x65 [0x80eaed1]
Charm++ fatal error:
BUG ALERT: Mother atom with hydrogenGroupSize of 0!
BUG ALERT: NAMD has detected a bug. Please notify namd_at_ks.uiuc.edu.
What's wrong? How should I verify?
Thanks!
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