AMBER Archive (2004)

Subject: AMBER: IOUTFM and binary/unformatted files error

From: Martin Mucha (mucha_at_uochb.cas.cz)
Date: Tue May 25 2004 - 02:18:44 CDT

Hi all,

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?

Best,
    Martin Mucha

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