From kim@sfu.ca Wed Sep 4 19:51:02 1993 From: kim@sfu.ca Message-Id: <9309050951.AA19205@hope.sfu.ca> Subject: SGI or Gaussian 92 problem To: chemistry@ccl.net Date: Sun, 5 Sep 93 2:51:02 PDT Dear Netters: I am running Gaussian 92 on SGI Challenge machine (100 MHz, 4CPU's, 96 Mb memory, 5Gb disk). As soon as I ran my job, I received the following error message and my job failed: shmat failed.: Not enough space shmdt failed.: Invalid argument IOT Trap Abort I had 87 Mbyte free. I don't know whether this is a problem of the machine or Gaussian 92 program. In addition, I had the same problem some time ago and had to ask to reboot the machine. I would appreciate it very much if anybody could tell me the reason and how to fix this problem. Sincerely yours, Dr. Chan-Kyung Kim Department of Chemistry Simon Fraser University Burnaby, B. C. P.S. I am sending this message to the net becuase nobody can help me because of long weekend. From Jonathan.Connor@mailhost.manchester-computing-centre.ac.uk Sun Sep 5 12:36:26 1993 Message-Id: <199309051547.AA17779@oscsunb.ccl.net> Subject: Intermolecular Forces Meeting To: chemistry Date: Sun, 5 Sep 93 16:45:43 BST From: Jonathan Connor > > ------------------------------------------------------------------------- > > Royal Society of Chemistry: Theoretical Chemistry Group > > and > > Collaborative Computational Project No. 6: Heavy Particle Dynamics > > ANNOUNCE > > Theoretical Chemistry Days No. 1: > > Recent Advances in Intermolecular Forces > > A Half-Day Meeting to be held in the Department of Chemistry, > University College, London on Wednesday 1st December 1993. > > ----------------------------------------------------------------------- > > 1320 Professor J N L Connor (University of Manchester) > "Chairman's Introduction" > > 1330 Keynote Speaker: > Professor A D Buckingham (University of Cambridge) > "Intermolecular Forces: An Overview" > > 1415 Professor A S Dickinson (University of Newcastle upon Tyne) > "Intermolecular Forces and Transport Properties: Recent Advances" > > 1440 Doctor J M Hutson (University of Durham) > "Intermolecular Forces and Spectroscopy: Recent Advances" > > 1505 TEA > > 1530 Professor Doctor A van der Avoird (Universiteit Nijmegen, The > Netherlands) > "Intermolecular Forces from Electronic Structure Calculations: Recent > Advances" > > 1615 Doctor S L Price (University College, London) > "Intermolecular Forces and Biochemical Interactions: Recent Advances" > > 1640 Professor J N Murrell (University of Sussex) > "Intermolecular Forces for Solids: Recent Advances" > > 1705 FINISH > > ----------------------------------------------------------------------- > > Organiser: Professor J N L Connor, Department of Chemistry, > University of Manchester > > Local Organiser:Doctor S L Price, Department of Chemistry, > University College, London > > ALL WELCOME! THERE IS NO REGISTRATION FEE! > > ------------------------------------------------------------------------ -- Professor J.N.L. Connor, Phone(direct line): 061-275-4693 (national) Department of Chemistry, :+44-61-275-4693 (international) University of Manchester, Manchester M13 9PL, Phone(secretary): 061-275-4686 or 4600 England. Fax: 061-275-4598 From elewars@alchemy.chem.utoronto.ca Sun Sep 5 12:54:40 1993 Date: Sun, 5 Sep 93 16:54:40 -0400 From: elewars@alchemy.chem.utoronto.ca (E. Lewars) Message-Id: <9309052054.AA02957@alchemy.chem.utoronto.ca> To: chemistry@ccl.net Subject: programs for animating on PC vib freqs calc by Gaussian I do G92 calcs on a mainframe and download the output into my PC. In the QCPE Bulletin Vol. 13, No. 3 (Aug. 1993) is described two programs for animating vibrational freq's: QCMP118, VIBMOL and QCMP120, VIBRAM. Does anyone have any experience with these programs for animating G92 freqs (VIBMOL specifically mentions G90, but I suppose it would work with G92).?Thanks elewars@trentu.ca ====================