Re: [AMBER] Various Errors in Tests

From: case <case.biomaps.rutgers.edu>
Date: Tue, 9 Mar 2010 08:42:28 -0500

On Tue, Mar 09, 2010, Philipp Marquetand wrote:
>
> cd rdc && ./Run.dip
>
> ERROR: r1 -> r4 (and r1a -> r4a) must be monotonically increasing;
> Offending restraint:
> ******
> H3' ( 27)-H2'1( 29) NSTEP1= 0
> NSTEP2= 0
> R1 = 6.500 R2 = 6.500 R3 = 3.400 R4 = 3.400 RK2 = 0.000 RK3
> = 32.000

I can't reproduce this, but I don't have exactly your compiler (gcc 4.1.2 in
x86_64 Linux). We've had lots of trouble with that particular compiler,
however. Maybe someone to has access to that can check this report, as it
is hard to debug until it can be reproduced.

gcc 4.1.2 is over three years old, and was one of the earlier gfortran
releases. It's not clear that we will be able to work around this, and you
may need to upgrade your compiler.

...thanks for the report....dac

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Received on Tue Mar 09 2010 - 06:00:03 PST
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