From: ipsita basu (ibasu788_at_gmail.com)
Date: Mon May 10 2010 - 06:11:39 CDT
Hi,
I have installed NAMD_2.7b2_Source for a linux ppc 64 machine
without TCL and FFTW as I am not able to install with TCL and FFTW.
Now when I am going to run a simulation script in that machine, it is
aborted giving error like this:
ERROR: in the configuration file are not allowed
ERROR: Could not understand units ';' in option 'LangevinPistonTarget
= 1.01325 ;
ERROR: Multiple definitions of 'fixedatoms'
ERROR: in the configuration file are not allowed
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: output
ERROR: minimize
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
[0] Stack Traceback:
[0] .CmiAbort+0x90 [0x1062222c]
[1] ._Z8NAMD_diePKc+0x64 [0x1011c320]
[2] ._ZN13SimParameters22initialize_config_dataEP10ConfigListRPc+0xec
[0x1051af58]
[3] ._ZN9NamdState14configListInitEP10ConfigList+0x24c [0x10493174]
[4] ._ZN9ScriptTcl3runEPc+0x104 [0x104fc184]
Whereas the same script is running well in other linux machine where
namd is installed with TCL and FFTW.
I would like to know is there anyone to help me.
Thanking You
Ipsita
-- Ipsita Basu Research Fellow c/o : Dr. Chaitali Mukhopadhyay Rajabazar Science College 92 APC Road Kolkata - 700009
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