Re: [AMBER] Fwd: bug report and gmail filtering amber digest

From: Ryan Snyder via AMBER <amber.ambermd.org>
Date: Fri, 17 May 2024 15:51:00 +0000

I agree with your findings. I created a merge request to implement your fix.

Ryan Snyder
________________________________
From: Ross Walker via AMBER <amber.ambermd.org>
Sent: Friday, May 17, 2024 10:10 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Fwd: bug report and gmail filtering amber digest



> Begin forwarded message:
>
> From: "German P. Barletta" <pbarletta.gmail.com>
> Subject: bug report and gmail filtering amber digest
> Date: May 17, 2024 at 09:31:31 EDT
> To: amber-owner.ambermd.org
>
> Hello,
> I'm writing to report a bug on a test, maybe it's been fixed already, but I downloaded amber yesterday, so I thought I should try to report it.
> I'd write to the mailing list but gmail has been filtering my amber digest emails for a while now.
>
> On amber24/test/4096wat/Run.frcdmp:
> ----------------------------------------
> # Check the NetCDF forces with ncdump
> if [ ! -x $AMBERHOME/bin/ncdump ]; then
> ncdump=`which ncdump`
> if [ ! -x $ncdump ]; then
> echo "Warning: Cannot compare mdfrc without ncdump!"
> exit 0
> fi
> else
> ncdump=$AMBERHOME/bin/ncdump
> fi
> ----------------------------------------
>
> It should be:
> ----------------------------------------
> # Check the NetCDF forces with ncdump
> if [ ! -x $AMBERHOME/bin/ncdump ]; then
> ncdump=`which ncdump`
> if [ -z $ncdump ]; then
> echo "Warning: Cannot compare mdfrc without ncdump!"
> exit 0
> fi
> else
> ncdump=$AMBERHOME/bin/ncdump
> fi
> ----------------------------------------
>
> -x is good for checking if a file exists and is executable, -z is good for checking if a variable is empty, which is what happens if which ncdump can't find ncdump.
>
> Best wishes,

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Received on Fri May 17 2024 - 09:00:02 PDT