On Fri, Feb 09, 2007, jlalonde wrote:
>
> I have just installed Amber9 on a single node of a Beowulf cluster. The
> serial test reported a possible failure in the targeted MD module (see
> below). Has any one seen this error?
People have reported problems with gfortran 4.0.1 before, on the tgtmd
tests (although not this exact one):
http://amber.ch.ic.ac.uk/archive/200605/0043.html
The gfortran compiler has had a lot of recent work, and there are much
more up-to-date versions. I have "GNU Fortran 95 (GCC) 4.3.0 20061128
(experimental)", and don't see this test failure. So, you might try
upgrading, and/or swith to g95, which has generally been more stable.
I know it's lame to blame the compiler, but there is at least a
reasonable chance that it's your best shot in this situation.
Maybe gfortran guru's can chime in here, but you may need at least
vesion 4.1 or so.
...good luck...dac
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Received on Wed Feb 14 2007 - 06:07:33 PST
