AMBER Archive (2009)

Subject: Re: [AMBER] array out of bound in Amber10 tests

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Feb 10 2009 - 15:30:36 CST

On Tue, Feb 10, 2009, Shan-ho Tsai wrote:
>
> Here are some examples of the errors:

These are probably not errors at all, but just reflect the fact that the
bounds-checking code doesn't know how to deal with a older (but not
incorrect) fortran syntax, analogous to the change discussed earlier.
>
>
> cd rdc && ./Run.dip
> 0: Subscript out of range for array name (_nmr.f: 6320)
> subscript=10, lower bound=1, upper bound=1, dimension=1
> ./Run.dip: Program error
> make: *** [test.sander.BASIC] Error 1
>
> cd umbrella && ./Run.umbrella
> 0: Subscript out of range for array name (_nmr.f: 6320)
> subscript=39, lower bound=1, upper bound=1, dimension=1
> ./Run.umbrella: Program error
> make: *** [test.sander.BASIC] Error 1
>
> cd gb1_cox2 && ./Run.cox2
> 0: Subscript out of range for array name (_nmr.f: 6320)
> subscript=5785, lower bound=1, upper bound=1, dimension=1
> ./Run.cox2: Program error
> make: *** [test.sander.GB] Error 1
>
> cd PIMD/part_nmpimd_water && ./Run.nmpimd
> 0: Subscript out of range for array thermostats (_nose_hoover.f: 434)
> subscript=1, lower bound=25, upper bound=24, dimension=1
> ./Run.nmpimd: Program error
> make: *** [test.sander.PIMD.partial] Error 1
>
> cd PIMD/part_nmpimd_ntp && ./Run.nmpimd
> 0: Subscript out of range for array thermostats (_nose_hoover.f: 434)
> subscript=1, lower bound=21505, upper bound=21504, dimension=1
> ./Run.nmpimd: Program error
> make: *** [test.sander.PIMD.partial] Error 1
>

The real question is this: if you turn off bounds checking, which test
cases still fail?

...dac

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