From: Yogesh Aher (aher.yogesh_at_gmail.com)
Date: Fri May 29 2009 - 09:34:13 CDT
Dear all,
While going through the tutorial, when I gave command : ./namd2
ubq_wb_eq.conf > ubq_wb_eq.log
Got the following error:*
Info: Based on Charm++/Converse 60102 for mpi-linux
Info: Built Mon May 18 13:51:37 CEST 2009 by abc on abc-desktop
Info: 1 NAMD 2.6 Linux-i686-MPI 1 abc-desktop abc
Info: Running on 1 processors.
Info: 1385 kB of memory in use.
Info: Memory usage based on CmiMemoryUsage
Info: Configuration file is ubq_wb_eq.conf
ERROR: Could not understand units ';' in option 'timestep = 2.0 ;
ERROR: Expecting value and optional units for option 'temperature'
ERROR: Expecting only a number for 'restartfreq' input, got: 500 ;
ERROR: ParseOptions can't understand 'on ;' for the
ERROR: Boolean variable 'Langevin'
ERROR: ParseOptions can't understand 'yes ;' for the
ERROR: Boolean variable 'useGroupPressure'
ERROR: Could not understand units ';' in option 'LangevinPistonTarget =
1.01325 ;
ERROR: Expecting value and optional units for option 'LangevinPistonTemp'
ERROR: 'LangevinPistonTemp' was set to 0 but it should be positive
Warning: The following variables were set in the
Warning: configuation file but were not needed
Warning: langevinTemp
Warning: langevinDamping
Warning: langevinHydrogen
ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: run
ERROR: reinitvels
ERROR: minimize
ERROR: set
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
[0] Stack Traceback:
[0] CmiAbort+0x2f [0x83af99e]
[1] _Z8NAMD_diePKc+0x5c [0x8134a5e]
[2] _ZN13SimParameters22initialize_config_dataEP10ConfigListRPc+0x6b
[0x82fb7dd]
[3] _ZN13SimParametersC1EP10ConfigListRPc+0x115 [0x82a7117]
[4] _ZN9NamdState14configListInitEP10ConfigList+0x70 [0x82a57ee]
[5] _ZN9ScriptTcl9initcheckEv+0x33 [0x82e0299]
[6] _ZN9ScriptTcl3runEPc+0x95 [0x82e035b]
[7] main+0x27c [0x8137164]
[8] __libc_start_main+0xe0 [0xb7c9e450]
[9] namd2 [0x8133bf1]*
Am I missing something?
Please let me know, how to come out of this problem.
Thanking you,
Y.
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