Subject: CCL:scipcm job fails to complete

From: Ian Hovell <HOVELL*at*cetem.gov.br>
Date: Mon, 19 May 2003 15:18:47 -0300

Dear CCLers,
Below is an edited output from a failed gaussian job. 
It fails stating: ShPair-CalcS2-2 allocation failure:
I have been unable to find any reference to this in the manual.
Can any body shed any light on this problem
TIA
Ian
 %mem=10MW
 %nproc=1
 Will use up to    1 processors via shared memory.
 Default route:  MaxDisk=2000MB
 ------------------------------------------
 # rhf/3-21g* scrf=scipcm geom=connectivity
 ------------------------------------------
 1/38=1,57=2/1;
 2/17=6,18=5,40=1/2;
 3/5=5,7=1,11=1,25=1,30=1/1,2,3;
 4/7=1/1;
 5/5=2,32=1,38=4,40=1000/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 -----------------------------------
 Solvated Solutes: hydroxyquinaldine
 -----------------------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C
 C                    1     1.3604 
 C                    2     1.42079  1     119.7042 
 C                    3     1.40232  2     118.70315  1     0.34555  0
 C                    4     1.41382  3     120.51752  2    -0.18059  0
 C                    5     1.35698  4     119.39375  3     0.01308  0
 H                    1     1.07087  2     119.8106  3     179.80729  0
 N                    3     1.36706  2     119.24129  1    -179.8798  0
 C                    4     1.42029  3     117.18863  2     179.53833  0
 H                    5     1.07213  4     119.27995  3     179.97652  0
 H                    6     1.07187  5     120.4652  4    -179.87495  0
 C                    9     1.351    4     119.63294  3    -0.08886  0
 C                    8     1.30384  3     119.65922  2    -179.2798  0
 H                    9     1.07275  4     119.13639  3    -179.92619  0
 H                    12    1.07142  9     121.24498  4    -179.79238  0
 O                    2     1.36814  1     123.62778  6     179.62457  0
 H                    16    0.96618  2     113.32298  1    -0.66918  0
 C                    13    1.51008  8     120.08982  3     179.47196  0
 H                    18    1.08504  13    110.04764  8    -121.81192  0
 H                    18    1.07866  13    110.46305  8    -1.29531  0
 H                    18    1.08544  13    110.22502  8     119.45484  0
---------------------------Cut out put----------------------------
 Projected INDO Guess.
 Warning!  Cutoffs for single-point calculations used.
 Requested convergence on RMS density matrix=1.00D-04 within  64 cycles.
 Requested convergence on MAX density matrix=1.00D-02.
 Requested convergence on             energy=5.00D-05.
 ShPair-CalcS2-2 allocation failure:  iend,mxcore=    166464    137127
 Error termination via Lnk1e in C:\G98W\l502.exe.
 Job cpu time:  0 days  0 hours 13 minutes 28.0 seconds.
 File lengths (MBytes):  RWF=   14 Int=    0 D2E=    0 Chk=    1 Scr=    1

Ian Hovell - Ph.D. 
NUCLEO DE MODELAGEM MOLECULAR-NMM 
Centro de Tecnologia Mineral - CETEM 
Ministerio da Cijncia e da Tecnologia- MCT 
Avenida Ipj, No 900 - Cidade Universitaria 
Ilha do Fundco Rio de Janeiro RJ Brasil 
CEP 21941-590 
tel 00 55 (xx) 3865 - 7216 
Fax 00 55 (xx) 22602837 ou 2290-4286 
e-mail hovell*at*cetem.gov.br