From owner-nwchem-users@emsl.pnl.gov Thu Apr 22 10:56:55 2004 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id i3MHusMW009357 for ; Thu, 22 Apr 2004 10:56:54 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i3MHusR4009356 for nwchem-users-outgoing; Thu, 22 Apr 2004 10:56:54 -0700 (PDT) Date: Thu, 22 Apr 2004 10:56:53 -0700 From: "Haranczyk, Maciej" Subject: Output from partial optimization To: nwchem-users@emsl.pnl.gov Message-id: <6F9342777832CB4D947603A1549CD74901C708BD@pnlmse28.pnl.gov> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft Exchange V6.0.6375.0 Content-type: multipart/alternative; boundary="----_=_NextPart_001_01C42893.31E07074" Thread-Topic: Output from partial optimization Thread-Index: AcQokzHOm6lA5+NiTKe6ccGaP9Ws7A== content-class: urn:content-classes:message X-MS-Has-Attach: X-MS-TNEF-Correlator: X-OriginalArrivalTime: 22 Apr 2004 17:56:53.0734 (UTC) FILETIME=[31FF6060:01C42893] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. ------_=_NextPart_001_01C42893.31E07074 Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable Hello, I am doing partial optimization of system ~200 atoms. I use driver module and set a list of active atoms (which I want to optimize). In the output files I have hunderds or thousands of lines "zeroing constrained gradient" every step of optimization. Because of that my outputs are about 100mb each, mainly because of lines I don't need. Also viewing 100mb files with vi is kind of slow. Is there a way to turn off printing whose lines ? Thanks, Maciek ------_=_NextPart_001_01C42893.31E07074 Content-Type: text/html; charset="US-ASCII" Content-Transfer-Encoding: quoted-printable Output from partial optimization

Hello,

I am doing partial optimization of = system ~200 atoms. I use driver module and set a list of active atoms = (which I want to optimize).

In the output files I have hunderds or = thousands of lines "zeroing constrained gradient" every step = of optimization.
Because of that my outputs are about = 100mb each, mainly because of lines I don’t need. Also viewing = 100mb files with vi is kind of slow.

Is there a way to turn off printing = whose lines ?

Thanks, Maciek

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