CCL:G: MP2 calculation stopped without any error information s
- From: "Ying Xiong"
<xiongying96:_:yahoo.com.cn>
- Subject: CCL:G: MP2 calculation stopped without any error
information s
- Date: Mon, 14 May 2007 21:53:31 -0400
Sent to CCL by: "Ying Xiong" [xiongying96*o*yahoo.com.cn]
Hi,
I am doing MP2 single point energy calculation with G03. However the job is
always stopped without any error information as follows:
Could you give me some clue on what's wrong with it?
Thanks !
Ying Xiong
--------------------------------------------------------------------
Leave Link 502 at Mon May 14 20:46:54 2007, MaxMem= 1073741824 cpu: 2005.1
(Enter /share/cluster/SLES9/ppc64/apps/gaussian/D.02/g03/l801.exe)
ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=1 IRadAn= 1
AccDes= 1.00D-06
HarFok: IExCor= 205 AccDes= 1.00D-06 IRadAn= 1 IDoV=1
ScaDFX= 1.000000 1.000000 1.000000 1.000000
Largest valence mixing into a core orbital is 2.27D-04
Largest core mixing into a valence orbital is 6.66D-05
Range of M.O.s used for correlation: 45 660
NBasis= 660 NAE= 181 NBE= 181 NFC= 44 NFV= 0
NROrb= 616 NOA= 137 NOB= 137 NVA= 479 NVB= 479
Leave Link 801 at Mon May 14 20:46:59 2007, MaxMem= 1073741824 cpu: 2.2
(Enter /share/cluster/SLES9/ppc64/apps/gaussian/D.02/g03/l906.exe)
FulOut=F Deriv=F AODrv=F NAtomX= 80
MMem= 23 MDisk= 137 MDiskD= 1
W3Min= 45936100 MinDsk= 35648767 NBas6D= 700
NBas2D= 246460 NTT= 245350 LW2= 2000000
MDV= 1073211049 MDiskM= 21254 NBas2p= 110518
Fully direct method using O(OVN) memory.
IMap= 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
19 20
IMap= 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
39 40
IMap= 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58
59 60
IMap= 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78
79 80
IMap= 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98
99 100
IMap= 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118
119 120
IMap= 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137
JobTyp=1 Pass 1: I= 1 to 22 NPSUse= 1 ParTrn=F ParDer=F DoDerP=F.