AMBER Archive (2004)

Subject: Re: AMBER: -p4pg problem

From: David A. Case (case_at_scripps.edu)
Date: Sat Jun 26 2004 - 13:54:03 CDT

On Sat, Jun 26, 2004, spookie wrote:
>
> mdfil: Error Unknown Flag: -p4pg

This is weird, since mdfil.f already has a test for this:

else if (arg(1:3) == '-p4') then
         iarg = iarg+1

It's not clear to me why this is failing, but I also don't know if the
"iarg = iarg +1" is correct (depends on what mpirun is actually adding to
your argument list....).

> added the following lines to mdfil.f in
> $AMBERHOME/src/sander
>
> else if (arg == '-p4pg')
> continue

I don't see how this could hurt anything.

...good luck...dac
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