From: Shulin Zhuang (shulin.zhuang_at_gmail.com)
Date: Tue Feb 16 2010 - 18:28:30 CST
Dear NAMD users,
Does anyone use higher tcl version such 8.4 or 8.5 to compile namd?
I have met with a problem of compiling Version Nightly Build
(2010-02-16) Source
Code<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=941>
in my 64-bit 4U Rackmount Server(CPU Dual Xeon Quad Core E5310). I
followed the method from
http://www.ks.uiuc.edu/Research/namd/2.7b2/notes.html#compiling . The
only difference is that I installed tcl8.4 and use it to compile namd.
After the compilation, I test it with ./charmrun ++local +p2 ./namd2
src/alanin, it is normal and no any errors. However, when I test it with
my configuration file, the error arised: ERROR: Atom 16887 velocity is nan
nan nan (limit is 24000)
If I download the NAMD
Linux-x86_64<http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=942>(Opteron,
Athlon64, Intel EMT64) to test my configuration file, everything
is ok. Therefore, I think there should be any error for my compiled namd2,
but I did know where is the problem. Could you please give me any advice?
Great thanks.
Have a good day
Shulin
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