I've installed AMBER 9 on an IA 64 cluster using ifort and mpich. The
compilation went smoothly, however several tests, notably the rem_?gb
series produced inconsistent results. For example, the rem_gb_2rep test
produced Eptot = -2.28 for exchange 5, rep 2 but the comparison value
was -0.95.
Has anybody experienced this problem? Any advice?
Kevin
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Received on Sun Jul 02 2006 - 06:07:07 PDT
