From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Aug 05 2005 - 11:28:14 CDT
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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