Re: [AMBER-Developers] having tleap fail when input files are not found

From: Scott Brozell <>
Date: Tue, 21 Feb 2017 03:27:40 -0500


Ok, I'll investigate.


On Mon, Feb 20, 2017 at 04:38:17PM -0500, Hai Nguyen wrote:
> +1 for exiting right away if getting error since the final prmtop is NOT ok
> to use.
> Hai
> On Mon, Feb 20, 2017 at 4:32 PM, Justin MacCallum <>
> wrote:
> > Hi Dave,
> >
> > We routinely use tleap non-interactively, and this behaviour bites us
> > occasionally. It would be great if there was a mechanism to specify that
> > tleap should die with a suitable error code whenever ti would otherwise
> > print an error when called interactively.

On Mon, Feb 20, 2017 at 11:48:10AM -0500, David Case wrote:
> This is a long-standing behavior for tleap:
> > MSE = loadmol2 MSE.mol2
> Could not open file MSE.mol2: not found
> ...soldier on, continue with the next command.
> The above behavior is appropriate for interactive use, to give the user
> the chance to correct a typing mistake. But it mainly causes confusion
> for non-interactive use, since the error message that almost invevitably
> will come often hides the true source of the error.
> Could we not use isatty() to make "not found" a fatal error for
> non-interactive use? Can some kind soul with spare time try to do this?
> [I know that there are some workflows that rely on the current behavior,
> e.g. they load files that may not exist but also may not be needed.
> How much should we worry about breaking such behavior? Do we need a
> command-line switch (or a new "global" variable) to control whether
> "non-found" is fatal?]

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Received on Tue Feb 21 2017 - 00:30:02 PST
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