AMBER Archive (2004)

Subject: Re: AMBER: IOUTFM and binary/unformatted files error

From: David A. Case (case_at_scripps.edu)
Date: Tue May 25 2004 - 10:01:28 CDT

On Tue, May 25, 2004, Martin Mucha wrote:
>
> When trying to make sander (Amber8) writing mden and mdcrd as
> unformatted/binary files (using IOUTFM=1 switch), I got the following
> error message:
>
> PGFIO-F-215/formatted write/unit=15/formatted/unformatted file conflict.
> File name = mden unformatted, sequential access record = 1
> In source file _dynlib.f, at line number 1328
>
> That means, mden file is opened as unformatted (I have used the switch
> IOUTFM=1), however, in subroutine mdeng (dynlib.f) sander tries to
> write using formatting.
>
> Can anybody help how to fix it?
>

Please see bugfix.9 at the Amber web site. (Sent earlier to you privately,
but maybe it didn't get through....)

...dac
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