> With immediately subsequent QMMM test, after some tests PASSED, there was some problem with mpirun. Maybe someone is interested in looking at the output of the compilation (attached). To this concern, also the (renamed) config file is attached.
You need to apply the bugfixes before compiling. Specifically, your
problem with the QM/MM testing should be solved with bugfix 3. See:
http://www.ambermd.org/bugfixes10.html
Gustavo.
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Received on Wed May 21 2008 - 06:07:25 PDT
