Hi all,
I'm having trouble running tLeap in AmberTools 1.4. It terminates with a
segmentation fault whenever I try to run my script. I've reproduced this
error with AmberTools 1.3 and the version that comes with Amber 10. Relevant
computer specs: Fedora Core 12 x86_64, csh shell, gcc/gfortran version 4.4.3
20100127 (Red Hat 4.4.3-4).
To see whether the issue was with my script or the installation, I manually
loaded two libraries. "ions94.lib" is the only one that loads. Anything
else, such as "solvents.lib," returns the same error:
[oak3.proton09 bin]$ tleap
-I: Adding /opt/amber10/dat/leap/prep to search path.
-I: Adding /opt/amber10/dat/leap/lib to search path.
-I: Adding /opt/amber10/dat/leap/parm to search path.
-I: Adding /opt/amber10/dat/leap/cmd to search path.
Welcome to LEaP!
(no leaprc in search path)
> loadOff ions94.lib
Loading library: /opt/amber10/dat/leap/lib/ions94.lib
> loadOff solvents.lib
Loading library: /opt/amber10/dat/leap/lib/solvents.lib
*tleap: line 17: 26980 Segmentation fault (core dumped)
$AMBERHOME/bin/teLeap -I$AMBERHOME/dat/leap/prep -I$AMBERHOME/dat/leap/lib
-I$AMBERHOME/dat/leap/parm -I$AMBERHOME/dat/leap/cmd $**
xleap produces the same error. The installation seemed to go smoothly but
just in case, I've put my config.h script here: http://pastebin.com/CkHr0V2X (I
arbitrarily named the base folder "amber10." It has nothing in it besides
the current AmberTools 1.4 install).
Thanks in advance,
Omair
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Received on Tue May 11 2010 - 06:30:04 PDT
