The parmchk problem may be harder to crack than I first thought....
The example (FRH.mol2) works with gcc 4.0.2 on x86, and with gcc 3.4.4
on x64_64 (both linux). Also works with icc version 9.0 on x86_64.
Adding "-Wall" to gcc compilation gives no hints. "lint" gives lots of
messages (as usual) which might lead to some clues.
It (parmchk) segfaults (even with -g -O0 compilation) on gcc 3.4.4 on cygwin.
However, this same executable when run under gdb completes with the correct
answer. So, even going in with fprintf() may not really work...I'll try
if/when I have some time, but I am travelling now.
David: can you give us the result of "gcc --version"? I remember you saying
that you were using FC4, but we may need to pin this down further.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Nov 30 2005 - 15:53:00 PST
