From chemistry-request@server.ccl.net Thu Apr 22 11:08:40 1999 Received: from schrodinger.com (root@thermidore.schrodinger.com [192.156.98.99]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA03262 for ; Thu, 22 Apr 1999 11:08:39 -0400 Received: from sally.schrodinger.com (sally.schrodinger.com [206.231.140.227]) by schrodinger.com (8.8.5/8.8.5) with ESMTP id IAA19611 for ; Thu, 22 Apr 1999 08:07:33 -0700 Received: from localhost (shenkin@localhost) by sally.schrodinger.com (8.8.5/8.8.5) with ESMTP id LAA04639 for ; Thu, 22 Apr 1999 11:06:58 -0400 X-Authentication-Warning: sally.schrodinger.com: shenkin owned process doing -bs Date: Thu, 22 Apr 1999 11:06:58 -0400 (EDT) From: Peter Shenkin To: chemistry@ccl.net Subject: Re: CCL:multi-processors and memory In-Reply-To: <371E8F56.D128CEB8@syr.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII For the answer to your question, "man runon". However, if GAMESS is like most quantum programs, it spends a lot of time in IO and cannot keep the CPU busy. The net effect of doing what you propose might be to give each charmm run 50% of a CPU and to increase the GAMESS CPU utilization by very little. Still, you could try and see. -P. On Wed, 21 Apr 1999, Deepak Singh wrote: > Hi folks > > This might be a little out of context but if someone could just point me > > in the right direction it would be great. > > I have a SGI OCTANE with 2 processors (and 1.5 GB of memory). I am not > running any parallel > applications and do not think runnign parallel versions would give me an > advantage with just 2 > processors, but is there any way I can assign a processor to e.g. a > gamess run (which is where I need that capability the most)? Right now > I have two charmm runs > underway and one gamess run. While the overall operation of my computer > is nto significantly affected, > I do not like the CPU utilization which is currently ~75% each for the > charmm runs and 21% for the > GAMESS run (at least that is what gr_top reports). Any idea how I can > make GAMESS utilize more of > the CPU? Is this a problem in my GAMESS input file ( I am new to > ab-inito stuff) or is there something I can do to teh computer? > > > If someone can refer me to a good resource it would be great. > > Thanks > > Deepak. > > -- > ********************************************************************** > Deepak Singh Tel : (315)443 1739 (w) > Graduate Student (315)472 9659 (h) > Dept. of Chemistry & Biochemistry Fax : (315)443 4070 > Syracuse University email : desingh@syr.edu > 1-014 CST, Syracuse URL : http://web.syr.edu/~desingh > NY 13244 > > "Violence is the last refuge of the incompetent." --- Salvor Hardin > ********************************************************************** > > > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > -- ********* Peter S. Shenkin; Schrodinger, Inc.; (201)433-2014 x111 ********* *********** shenkin@schrodinger.com; http://www.schrodinger.com ***********