[4226] in Software_Announce
RE: RMG installed on Athena
daemon@ATHENA.MIT.EDU (Soumya Gudiyella)
Tue Jan 17 17:04:10 2017
From: Soumya Gudiyella <soumyag@mit.edu>
To: Alex T Prengel <alexp@mit.edu>,
software-announce
<software-announce@mit.edu>
CC: Alex T Prengel <alexp@mit.edu>, William H Green <whgreen@mit.edu>,
"Alon
Grinberg Dana" <alongd@mit.edu>, Mengjie Liu <mjliu@mit.edu>,
Phalgun Lolur
<plolur@mit.edu>
Date: Tue, 17 Jan 2017 22:03:57 +0000
In-Reply-To: <1484689072.22533.16.camel@dit.mit.edu>
Hi Alex,
I could successfully install RMG on Athena and run a job.=20
Thanks a lot for installing RMG on Athena. This provides a fast access to R=
MG for a new user (provided they have an account on Athena).
Regards,
Soumya
-----Original Message-----
From: Alex T Prengel [mailto:alexp@mit.edu]=20
Sent: Tuesday, January 17, 2017 4:38 PM
To: software-announce <software-announce@mit.edu>
Cc: Alex T Prengel <alexp@mit.edu>; William H Green <whgreen@mit.edu>; Soum=
ya Gudiyella <soumyag@mit.edu>
Subject: Re: RMG installed on Athena
There was a typo in the setup command; it should have been:
setup rmgchem
Sorry for the potential confusion.
Alex
On Fri, 2017-01-13 at 13:04 -0500, Alex T Prengel wrote:
> I've installed RMG on Athena. RMG is an automatic chemical reaction=20
> mechanism generator that constructs kinetic models composed of=20
> elementary chemical reaction steps using a general understanding of=20
> how molecules react.
>=20
> To run it, type:
>=20
> setup rmg
>=20
> and in the window that opens,
>=20
> source activate rmg_env
>=20
> followed by a command like
>=20
> rmg.py input.py (where input.py is a job input data file)
>=20
> Please see http://web.mit.edu/rmgchem/README.athena for additional=20
> information and links to documentation which will be necessary to use=20
> RMG.
>=20
> Alex
>=20
>=20
