From rtanner[ AT ]uoguelph.ca  Sat May 23 11:21:21 1998
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Date: Sat, 23 May 1998 11:21:16 -0400 (EDT)
From: Ruth Tanner <rtanner _-at-_)uoguelph.ca>
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To: CCL LIST <chemistry[ AT ]www.ccl.net>
Subject: Question about error on mp2 job
In-Reply-To: <01IXD99F6UO2005KE3 /at\APSU02.APSU.EDU>
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I'm using an Octane to run a relatively scratch space intensive job.  The
job is an mp2 frequency calculation.  The calculation comes to a halt and
gives me an error I've never seen before (but the machine does not run out
of disk space or memory).  Could anyone offer any advice? The following is
the last chunk of my output file including the error message.

 JobTyp=0 Pass 33:  I= 33 to 33. 
 (rs|ai) integrals will be sorted in core. 
 JobTyp=0 Pass 34:  I= 34 to 34. 
 (rs|ai) integrals will be sorted in core. 
 Spin components of T(2) and E(2): 
     alpha-alpha T2 = 0.6839610064D-01 E2= -0.2045179757D+00
     alpha-beta T2 = 0.3362889205D+00 E2= -0.1036250528D+01
     beta-beta T2 = 0.6839610064D-01 E2= -0.2045179757D+00
 ANorm= 0.1213705533D+01
 E2= -0.1445286480D+01 EUMP2= -0.52782130330553D+03
                   PickT4: no shell combinations can fit! 
 NKLS2p= 75 NKLS2= 75 MaxCom= 62
 Error termination via Lnk1e in /usr/people/g94/l1111.exe. 
 Job cpu time:  0 days 4 hours 2 minutes 15..7 seconds. 
 File lengths (MBytes):  RWF= 2448 Int= 0 D2E= 0 Chk= 1 Scr= 1
14233.4u 302.4s 8:57:50 45% 0+0k 25875+3247io 255pf+0w                          

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Ruth Tanner 						 rtanner ^%at%^ uoguelph.ca 
Masters Student in Physical Chemistry			Chemistry Department 
University of Guelph 			    http://www.uoguelph.ca/~rtanner/
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