Re: AMBER: amber8 test error

From: David A. Case <>
Date: Fri, 13 May 2005 10:11:27 -0700

On Thu, May 12, 2005, Cordova, Luis E. wrote:

> I did my homework on checking similar problems with setting LD_LIBRARY_PATH
> to /opt/intel/compiler80/ or the like but I still cannot PASS the complete test suite after a "make test" run.

> Running: /tmp/cordoval_code/amber8/exe/bondtype -i ANTECHAMBER_BOND_TYPE.AC0
> -o ANTECHAMBER_BOND_TYPE.AC -f ac -j full
> /tmp/cordoval_code/amber8/exe/bondtype: error while loading shared
> libraries: cannot open shared object file: No such file or
> directory

bondtype is a C++ program, and you should be able to compile it simply with
g++. It won't work if you compile with icc (as I understand it), you need
to use icpc (see bugfix.30).

Try doing "make clean" in $AMBERHOME/src/antechamber, then "make install"
with a config.h file that points to gcc/g++. If this fails, make sure that
other C++ programs work on your system (i.e. it is possible that gcc is

....good luck...dac
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Received on Fri May 13 2005 - 18:53:00 PDT
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