Fellow ADFers,
        Anyone know what is causing this problem with ADF QM/MM calc-
Here is some of the adfout file-

 ===============================
 M O D E L P A R A M E T E R S
 ===============================
  
 DENSITY FUNCTIONAL POTENTIAL (scf)
    LDA:
VWN
    Gradient Corrections:
---
 DENSITY FUNCTIONAL ENERGY (post-scf)
    Gradient Corrections: PW91x
PW91c == Not Default ==

 SPIN (restricted / unrestr.)
    Molecule:
UNrestricted == Not Default ==
    Fragments:
Restricted

 OTHER ASPECTS
    Relativistic Corrections: scalar
(ZORA,FrozenCore) *** SPECIAL ***
    Core Treatment: Frozen
Orbital(s)

    Electric Field:
---

    Magnetic Field:
---

 =======================
 ADF99 QM/MM version 1.0
 =======================
   **Initialization**
 

*******************************************************************************

 ADF EXIT called
 ERROR 2

*******************************************************************************

 =========================================================
 Workspace Manager Error Exit
 ---------------------------------------------------------
 ardel: last array to be deleted not found
 deloc real QP00 ATMDIS
 length= 0, istart= 2147132
 
 =========================================================

 Workspace Manager statistics
 ============================
 Allocate : 12
 Delocate : 4
 Relocate : 9
 Extend : 0
 Find : 7
 Available : 0
 Check : 0
 Hide : 0
 Freeze : 3
 Print : 1
 
 ===> WARNING: not all arrays were delocated
 

 Currently Allocated Arrays:
 ===========================

 INTEGERS: Marker : 23456789

  No. Size Start (Overwritten Markers) Name
 ------------------------------------------------------------------
   1 932 4154938 IDFRAG
   2 933 4155872 NFRAG

 Total used: 0Mb 7kb 308bytes

 REALS: Marker : 2.34567890

  No. Size Start (Overwritten Markers) Name
 ------------------------------------------------------------------
   1 0 2147132 QP00
   3 2796 2147134 HGVAR

 Total used: 0Mb 21kb 904bytes

 STRINGS: Marker : 2345678

  No. Size Start (Overwritten Markers) Name
 ------------------------------------------------------------------
   4 932 117112 ATREC
   5 932 114106 ATNAME
   6 932 115040 FRNAME

 Total used: 0Mb 438kb 288bytes

 Datatype: INTEGERS, Free blocks of memory: 1 blocks
-----------------------------------------------------------------------
  Block No Dataptr Length MallocPtr MallocLen
         1 4156806 129203 16619744 131072

 Total allocated but free: 0Mb 504kb 716bytes

 Datatype: LOGICALS, Free blocks of memory: 1 blocks
-----------------------------------------------------------------------
  Block No Dataptr Length MallocPtr MallocLen
         1 4286007 8192 17144024 8192

 Total allocated but free: 0Mb 32kb 0bytes

 Datatype: REALS, Free blocks of memory: 2 blocks
-----------------------------------------------------------------------
  Block No Dataptr Length MallocPtr MallocLen
         1 2149931 128222 17176640 131072
         2 2147081 50 0 0

 Total allocated but free: 0Mb 1002kb 128bytes

 Datatype: STRINGS, Free blocks of memory: 3 blocks
-----------------------------------------------------------------------
  Block No Dataptr Length MallocPtr MallocLen
         1 118045 5674 18222024 9830
         2 113889 216 0 0
         3 115973 1138 0 0

 Total allocated but free: 1Mb 74kb 128bytes

 Total memory: 83886080
 Free memory: 80707648

 Minimum size of real memory blocks: 1048576
 Minimum size of integer memory blocks: 524288
 Minimum size of logical memory blocks: 32768
 Minimum size of string memory blocks: 1572864

*******************************************************************************

 ADF EXIT called
 ardel: last array to be deleted not found

*******************************************************************************

*******************************************************************************

                             A D F E X I T
 pp info: terminating timer mm_adf_geoinp
 ERROR 2

 Current Execution Stack has 3 elements
 Last to be Executed : ADF

 Stack of Active SubPrograms:
 ----------------------------
 FTYPES
 MM_ADF_GEOINP
 ADF

 =================
 Timing Statistics
 =================
  
 Total Used : CPU= 3.62 System=
0.44 Elapsed= 6.88

 Calls Section ( Mean, Percentage )

---------------------------------------------------------------------------------------------------
     2 >< ................ 0.00 0.00 0.00
0.03 0.00 0.00
     1 INIT ................ 2.18 60.33 0.30
68.78 4.14 60.10
     1 EXIT PROCEDURE ......... 1.44 39.66 0.14
31.19 2.75 39.89

 Currently Open Files (EXIT00)
 ====================

 Unit Access Format Status Type Ident (file)
 -------------------------------------------------------
   3 SEQ FORM TRANSP NORMAL LOGFILE
                                          ( logfile )

 Buffered I/O statistics
 =======================
 Memory available: 8388608
 Number of records fitting in memory: 2028
 Input : 100.0% of 1 *4k bytes
 Output: 51.7% of 58 *4k bytes
 Records from serial files evicted: 0
                    others evicted: 0
 Hash table lookups: 165 with 0 conflicts ( 0.00%)

***************************************************************************************************
 (LOGFILE)

 <Mar20-2001> <12:14:30> ADF 2000.02 RunTime: Mar20-2001 12:14:30
 <Mar20-2001> <12:14:30> QM region
 <Mar20-2001> <12:14:30> RunType : GEOMETRY OPTIMIZATION
 <Mar20-2001> <12:14:33> ERROR 2
 <Mar20-2001> <12:14:33> ardel: last array to be deleted not found
 <Mar20-2001> <12:14:33> ERROR 2
 <Mar20-2001> <12:14:33> END

-- 
------------------------------------------------------------------------
Dr. David W. Price MA CChem MRSC      Tel: +44 (0)118 9875123  extn
7415
Department of Chemistry,              Fax: +44 (0)118 9316331
University of Reading,                mailto:d.w.price_at_reading.ac.uk
Whiteknights, 
READING
RG6 6AD 
U.K.
 
------------------------------------------------------------------------