From owner-chemistry@ccl.net Thu Sep 8 08:55:00 2011 From: "=?ISO-8859-1?Q?Francisco_Nu=F1ez_Za?=rur fnunez[A]klingon.uab.es" To: CCL Subject: CCL:G: AW: G: Gaussian09 frequency job failed Message-Id: <-45413-110908045427-13284-Q3vxmpYnvNr+WbJvELewHg|,|server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Francisco_Nu=F1ez_Za?=rur Content-transfer-encoding: 8BIT Content-type: text/plain; charset=iso-8859-1 Date: Thu, 08 Sep 2011 10:53:57 +0200 MIME-version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Francisco_Nu=F1ez_Za?=rur [fnunez() klingon.uab.es] Hi all, thank a lot for your suggestions. Some points: 1. To Billy McCann: it seems the problem is not technical. The scratch space is enough and there is no time limit for the calculations in our machines. Even with 16 processors and 20 GB of memory for my M06-L frequencies, which in principle must not be time/computational demanding, the problem remains. 2. To Ernst Horkel: as stated above, the problem is still present. We think that the problem is a bug of Gaussian and we are carrying out more test on this issue. However, we will try to fix the problem with your suggestions and will see what happens. In any case, I will post the results on CCL. Again, thank to all for you help. Francisco Nuņez Zarur Autonomous University of Barcelona Spain From owner-chemistry@ccl.net Thu Sep 8 09:30:00 2011 From: "Jonathan Stevens stevenje===udmercy.edu" To: CCL Subject: CCL: computational chem symposium at CERM 2012 Message-Id: <-45414-110907140733-23821-9Tyl6CneRRwjmCU0Pp8z3w[#]server.ccl.net> X-Original-From: Jonathan Stevens Content-Language: en Content-Type: multipart/alternative; boundary="--2b99a98d1f00e91462b0" Date: Wed, 07 Sep 2011 18:07:20 GMT MIME-Version: 1.0 Sent to CCL by: Jonathan Stevens [stevenje ~ udmercy.edu] This is a multi-part message in MIME format. ----2b99a98d1f00e91462b0 Content-Type: text/plain; charset=us-ascii Content-Disposition: inline Content-Transfer-Encoding: 7bit Hello All, I am currently seeking to contact any volunteers interested in helping organize a symposium focusing on bio-molecular simulations and computation on biological systems. This symposium would be held at the American Chemical Society Central Regional Meeting, CERM 2012, to be held in Dearborn, MI. Any interested parties can contact me at 313-993-1048 or at stevenje*udmercy.edu Jonathan E. Stevens Department of Chemistry and Biochemistry University of Detroit Mercy 4001 W. McNichols Road Detroit, MI 48221 stevenje*udmercy.edu 313-993-1048 ----2b99a98d1f00e91462b0 Content-Type: text/html; charset=us-ascii Content-Disposition: inline Content-Transfer-Encoding: 7bit
Hello All,
 
I am currently seeking to contact any volunteers interested in helping organize a
symposium focusing on bio-molecular simulations and computation on biological
systems. This symposium would be held at the American Chemical Society Central Regional
Meeting, CERM 2012, to be held in Dearborn, MI. Any interested parties can contact me
at
 
313-993-1048
 
or at
 
stevenje*udmercy.edu
 
 
Jonathan E. Stevens
Department of Chemistry and Biochemistry
University of Detroit Mercy
4001 W. McNichols Road
Detroit, MI
48221
stevenje*udmercy.edu
313-993-1048

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