From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Aug 05 2005 - 12:36:07 CDT
You don't have Tcl. If you did you would see this:
Info: Configuration file is 1uf2_qef_prot_invacuo.namd
TCL: Suspending until startup complete.
"minimization on" is a config option that works without Tcl, but you're
trying to use the "minimize" command instead.
-Jim
On Fri, 5 Aug 2005, Brian Bennion wrote:
>
> Hello,
>
> I am testing a new port of namd/charm++ to a large Ia64 cluster and have
> not been able to minimize a test protein.
>
> The log gives the following error for the minimization keyword.
>
> I have tcl turned on in the configure options.
>
> Just something simple that I have missed?
>
> Regards
> Brian
>
>
> Info: NAMD 2.5 for Linux-ia64
> Info:
> Info: Please visit http://www.ks.uiuc.edu/Research/namd/
> Info: and send feedback or bug reports to namd_at_ks.uiuc.edu
> Info:
> Info: Please cite Kale et al., J. Comp. Phys. 151:283-312 (1999)
> Info: in all publications reporting results obtained with NAMD.
> Info:
> Info: Based on Charm++/Converse 50900 for elan-linux-ia64-icc
> Info: Built Fri Aug 5 08:59:30 PDT 2005 by bennion1 on thunder2
> Info: Sending usage information to NAMD developers via UDP. Sent data is:
> Info: 1 NAMD 2.5 Linux-ia64 64 thunder1008 bennion1
> Info: Running on 64 processors.
> Info: 9280 kB of memory in use.
> Info: Configuration file is 1uf2_qef_prot_invacuo.namd
> ERROR: The following variables were set in the
> ERROR: configuration file but are NOT VALID
> ERROR: minimize
> FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
>
>
> ************************************************
> Brian Bennion, Ph.D.
> Bioscience Directorate
> Lawrence Livermore National Laboratory
> P.O. Box 808, L-448 bennion1_at_llnl.gov
> 7000 East Avenue phone: (925) 422-5722
> Livermore, CA 94550 fax: (925) 424-6605
> ************************************************
>
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