From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Sun Mar 16 2014 - 14:48:12 CDT
Now, after a very large number of failed attempts by changing command, by
adding the "++verbose" option to the command line, the requested number of
steps were carried out
fp
---------- Forwarded message ----------
From: Francesco Pietra <chiendarret_at_gmail.com>
Date: Sun, Mar 16, 2014 at 8:40 PM
Subject: TCL command "run" erratic
To: NAMD <namd-l_at_ks.uiuc.edu>
Hellow:
>From time to time, with all my shared-mem computers, either CPU or CPU-GPU,
and binary namd2.9, I am faced by erratic behavior of the "run" command.
Here with a minimal CPU computer based on dual-opteron (for MacCammon
acceleratedMD under Case GB conditions):
.........................................
.........................................
colvars: Collective variables module initialized.
colvars:
----------------------------------------------------------------------
Info: useSync: 1 useProxySync: 0
Info: Startup phase 8 took 0.018353 s, 120.816 MB of memory in use
Info: Startup phase 9 took 0.000530005 s, 120.816 MB of memory in use
Info: Startup phase 10 took 0.000347972 s, 121.281 MB of memory in use
Info: Finished startup at 0.119451 s, 121.281 MB of memory in use
TCL: Running for 10000 steps
francesco_at_tya64:~/tmp/accelMD$
This also occurs with conf file that a few hours ago led to the "run"
command behaving regularly.
Any suggestion?
Thanks
francesco pietra
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