Dear AMBER users,
We have running a cluster of 12 processors in linux Debian platform (mpich
1.2.6. and fortran intel_fc_80 compiler), and our results in sander8 outputs
are different depending the queue (4 or 8) that we are using, around 0.0001 %
in the final energy in the third step.
We are disturbed because the test factor_ix for sander 8 is well passed in
both queues.
Any comments are welcome,
Thanks in advance.
Cristian Obiol
Biological Systems Modelling and Drug Design
Research Group
University of Barcelona
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Received on Sun Feb 19 2006 - 06:10:11 PST
