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 - 10:39:43 CST

On Tue, Feb 10, 2009, Shan-ho Tsai wrote:
>
> cd 4096wat && ./Run.pure_wat_nmr_temp_reg
> 0: Subscript out of range for array tgtvec (_nmr.f: 5633)
> subscript=2, lower bound=1, upper bound=1, dimension=1

This looks innocuous: try changing nmr.f, about line 4135, from

   _REAL_ tgtvec(1) ! cuigl

to

   _REAL_ tgtvec(*) ! cuigl

> (which is also -C for xlf90), and then several tests
> failed to run, with a trap like
>
> ERROR: 0031-250 task 0: Trace/BPT trap
> ERROR: 0031-250 task 1: Terminated

Unfortunately, unless the compiler can generate additional information,
this doesn't help much, since it doesn't seem(?) to provide any details
about where the bounds error occurred.

...dac

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