AMBER Archive (2003)

Subject: Re: AMBER: Amber 7 - bugfix 42 problem.

From: David A. Case (case_at_scripps.edu)
Date: Fri Sep 19 2003 - 13:17:10 CDT

On Wed, Sep 17, 2003, Bengt Svensson wrote:

> After applying the bugfix 42: 'parallel sander minimization with shakemay
> not shake all waters' sander will not run the test.sander tip4p and tip5p.
> I get s SIGSEGV error (See below). This happens with both g77 and pgf77 on
> a Scyld Linux cluster.
>

Aaaargh!!! The @#%$ 72-column limit in Fortran bit me. Please use the
modified bugfix.42, and/or make sure that lines 391 and 396 in the patched
version of fastwt.f don't go past column 72.

(Note: in amber8, we are using free-format Fortran, which should mostly
eliminate this sort of glitch...)

Thanks for pointing this out!....regards...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
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