 
------ Host: "cauchy" ----------Fri Apr 30 11:45:06 2010
                       
 /worka/dieter/pyr24+IB/standart/p24+

 PID = 12827

--------------------------------------------------------------------------------
****** Source code version ******

Program Version :     8
Release         :     4
Revision        :     5

Heidelberg SVN repository no.: 281   
Checkin date: Thu, 01 Apr 2010, 21:19:12  

Compiled: Thu, 29 Apr 2010, 21:47:55 ; Host: cauchy                             
Program name: mctdh84

Included surfaces: lsth                                                         

Default operator-path: /home/dieter/MCTDH/mctdh84.5/operators                 
--------------------------------------------------------------------------------

###############                 NEW RUN                  ###############

******* OPTIONS ****** 
-mnd 


########################################################################

 Reading Input Files 

########################################################################

Task: gendvr genoper geninwf propagation 

Opening operator file :/home/dieter/MCTDH/mctdh84.5/operators/pyr24+.op

***** Hamiltonian and title *****

Pyrazine+ 24-mode model, bi-linear                                              

Parameter values taken from .op file 

Assigning Operators From Library

 
***** Paths and input files *****
 
~.inp  file copied to input in name directory
name      : /worka/dieter/pyr24+IB/standart/p24+
input     : /worka/dieter/pyr24+IB/standart/p24+.inp
DVR file  : /worka/dieter/pyr24+IB/standart/p24+
.op file  : /home/dieter/MCTDH/mctdh84.5/operators/pyr24+.op                  
INWF file : /worka/dieter/pyr24+IB/standart/p24+
cross-ref : /worka/dieter/pyr24+IB/standart/p24+/restart

overwrite disabled

 
 WARNING in subroutine Chkprop :
 Symmetric Hamiltonian and real initial state assumed when calculating
 autocorrelation function.

Timing file opened

########################################################################

 Creating DVR file: /worka/dieter/pyr24+IB/standart/p24+/dvr
                                                         Apr 30 11:45:06
########################################################################
 
***** Memory used in DVR basis generation *****                                 
 
Memory size (used / allocated) (in Mb):      1.357 /     32.636
 
** Array dimensions **
 
length of psi/dtpsi    array (used):           0          0.000 MB
length of complex      array (used):           6          0.000 MB
length of real         array (used):       63245          0.483 MB
length of integer      array (used):           5          0.000 MB
length of logical      array (used):           2          0.000 MB
length of complex (sp) array (used):           1          0.000 MB
length of real    (sp) array (used):           1          0.000 MB
 
total array memory in mb     (used):         0.5
 


****** Primitive Basis *********

 mode     kappa    DVR    N        xi         xf         dx       p-max

 v10a         1    HO    40     -8.099      8.099   0.415321      8.099   1.0000
 v6a          2    HO    32     -7.126      7.126   0.459730      7.126   1.0000
 v1           3    HO    20     -5.387      5.387   0.567103      5.387   1.0000
 v9a          4    HO    12     -3.890      3.890   0.707223      3.890   1.0000
 v8a          5    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v2           6    HO     4     -1.651      1.651   1.100453      1.651   1.0000
 v4           7    HO    24     -6.016      6.016   0.523124      6.016   1.0000
 v5           8    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v6b          9    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v3          10    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v8b         11    HO    24     -6.016      6.016   0.523124      6.016   1.0000
 v7b         12    HO     4     -1.651      1.651   1.100453      1.651   1.0000
 v16a        13    HO    24     -6.016      6.016   0.523124      6.016   1.0000
 v17a        14    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v12         15    HO    20     -5.387      5.387   0.567103      5.387   1.0000
 v18a        16    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v19a        17    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v13         18    HO     4     -1.651      1.651   1.100453      1.651   1.0000
 v18b        19    HO    80    -11.888     11.888   0.300959     11.888   1.0000
 v14         20    HO    20     -5.387      5.387   0.567103      5.387   1.0000
 v19b        21    HO    72    -11.226     11.226   0.316237     11.226   1.0000
 v20b        22    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v16b        23    HO    32     -7.126      7.126   0.459730      7.126   1.0000
 v11         24    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 el          25    el     2


********* SPF Basis ************

 mode     N   n1 n2     dof's

   1   1280   14 11     1  2
   2   1920    8  7     3  4  5
   3    768    6  5     6  9 11
   4   1536    6  4     7  8 10
   5   1920    4  5    13 15 18
   6   5760    7  7    21 19
   7   4320    5  5    16 20 17 14
   8   4608    3  4    22 23 24 12

 Total grid size       : 6.382393E+26
 Length of A-vector    :  2771440
 Length of Phi-vectors :   257984


########################################################################

 Creating OPER file: /worka/dieter/pyr24+IB/standart/p24+/oper
                                                         Apr 30 11:45:06
########################################################################
 
***** Memory used in OPERATOR generation *****                                  
 
Memory size (used / allocated) (in Mb):      2.098 /     33.377
 
** Array dimensions **
 
length of psi/dtpsi    array (used):           0          0.000 MB
length of complex      array (used):       42881          0.654 MB
length of real         array (used):       74599          0.569 MB
length of integer      array (used):           4          0.000 MB
length of logical      array (used):           2          0.000 MB
length of complex (sp) array (used):           1          0.000 MB
length of real    (sp) array (used):           1          0.000 MB
 
total array memory in mb     (used):         1.2

 *** RUNOPER include-array dimensions ***
k   :  minkoe, maxkoe     278    2000
h   :  htmdim, maxhtm     302    2000
hl  :  hopdim, maxhop     187    2000
nh  :  minfac, maxfac       2     200
np  : npesopt, maxpes       0      24
muld: mulddim,maxmuld       1      32
n   :    ndef, maxdef       0     100
n   :    npar, maxpar     176     400
n   :    nrdf, maxrdf       0      16
See op.log file for final values.

***** Operator details *****

DOF no.    label
    1       v10a            
    2       v6a             
    3       v1              
    4       v9a             
    5       v8a             
    6       v2              
    7       v4              
    8       v5              
    9       v6b             
   10       v3              
   11       v8b             
   12       v7b             
   13       v16a            
   14       v17a            
   15       v12             
   16       v18a            
   17       v19a            
   18       v13             
   19       v18b            
   20       v14             
   21       v19b            
   22       v20b            
   23       v16b            
   24       v11             
   25       el              

Mode     DOFs
   1    1=v10a      2=v6a     
   2    3=v1        4=v9a       5=v8a     
   3    6=v2        9=v6b      11=v8b     
   4    7=v4        8=v5       10=v3      
   5   13=v16a     15=v12      18=v13     
   6   21=v19b     19=v18b    
   7   16=v18a     20=v14      17=v19a     14=v17a    
   8   22=v20b     23=v16b     24=v11      12=v7b     

########################################################################

Creating RESTART file 
                                                         Apr 30 11:45:08
########################################################################


****** Initial SPF Functions *********

Initial State =     2

*** SPFs for State =     1 ***
  1  v10a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  2  v6a        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  3  v1         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  4  v9a        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  5  v8a        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  6  v2         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  7  v4         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  8  v5         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  9  v6b        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 10  v3         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 11  v8b        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 12  v7b        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 13  v16a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 14  v17a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 15  v12        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 16  v18a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 17  v19a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 18  v13        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 19  v18b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 20  v14        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 21  v19b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 22  v20b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 23  v16b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 24  v11        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 25  el        initial state:       2

*** SPFs for State =     2 ***
  1  v10a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  2  v6a        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  3  v1         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  4  v9a        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  5  v8a        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  6  v2         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  7  v4         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  8  v5         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
  9  v6b        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 10  v3         gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 11  v8b        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 12  v7b        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 13  v16a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 14  v17a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 15  v12        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 16  v18a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 17  v19a       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 18  v13        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 19  v18b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 20  v14        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 21  v19b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 22  v20b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 23  v16b       gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 24  v11        gauss   1  p0 =   0.00000  x0 =   0.00000  dx =   1.41421
 25  el        initial state:       2
 
***** Length of psi vector *****
 
Number of MCTDH coefficients for state  1:   1693440
Number of MCTDH coefficients for state  2:   1078000
 
 
Overall length of A-vector      :  2771440
Length of phi vector for mode  1:    32000
Length of phi vector for mode  2:    28800
Length of phi vector for mode  3:     8448
Length of phi vector for mode  4:    15360
Length of phi vector for mode  5:    17280
Length of phi vector for mode  6:    80640
Length of phi vector for mode  7:    43200
Length of phi vector for mode  8:    32256
                                  --------
Length of wavefunction vector   :  3029424

workcdim   :   1693440
workrdim   :        80
workidim   :         1
 
***** Memory used in WAVEFUNCTION generation *****                              
 
Memory size (used / allocated) (in Mb):    121.564 /    152.606
 
** Array dimensions **
 
length of psi/dtpsi    array (used):     3029424         46.225 MB
length of complex      array (used):     1719642         26.240 MB
length of real         array (used):      230958          1.762 MB
length of integer      array (used):           6          0.000 MB
length of logical      array (used):           3          0.000 MB
length of complex (sp) array (used):           1          0.000 MB
length of real    (sp) array (used):           1          0.000 MB
 
total array memory in mb     (used):       120.5

**** Reading OPER file ****
Pyrazine+ 24-mode model, bi-linear                                              
Created on:
------ Host: "cauchy" ----------Fri Apr 30 11:45:07 2010
                       

########################################################################

 Propagating Wavefunction 
                                                         Apr 30 11:45:12
########################################################################
 hopsdim  =     211004        1.610 MB
 dgldim   =    3029424       46.225 MB
 pmatdim  =       4580        0.070 MB
 hpsidim  =      40320        0.615 MB
 hlochdim =      12977        0.198 MB
 mfsumdim =    3420800       52.197 MB
 intpsidim=   13857200      211.444 MB
 workcdim =    8467200      129.199 MB
 workrdim =        160        0.001 MB
 
***** Memory used in wavefunction PROPAGATION *****                             
 
Memory size (used / allocated) (in Mb):    631.978 /    663.019
 
** Array dimensions **
 
length of psi/dtpsi    array (used):     3029424         46.225 MB
length of complex      array (used):    35169078        536.638 MB
length of real         array (used):      232988          1.778 MB
length of integer      array (used):           6          0.000 MB
length of logical      array (used):           3          0.000 MB
length of complex (sp) array (used):           1          0.000 MB
length of real    (sp) array (used):           1          0.000 MB
 
total array memory in mb     (used):       630.9
 
**** Global array sizes ****
 
Minimum value for maxdim    :     8  Present value:    32
Minimum value for maxsta    :     2  Present value:    16
Minimum value for maxsub    :    40  Present value:   240
Minimum value for maxkoe    :    56  Present value:  2000

**** Reading OPER file ****
Pyrazine+ 24-mode model, bi-linear                                              
Created on:
------ Host: "cauchy" ----------Fri Apr 30 11:45:07 2010
                       

**** RSTINFO: Reading RESTART file ****
Type : wavefunction, file-version =  8.40050
Created on:
------ Host: "cauchy" ----------Fri Apr 30 11:45:08 2010
                                           

***** Calculation type *****

Wavefunction propagation.
Using Schroedinger picture.
Electronic states in multi-set formalism.
 
***** Integrator algorithm *****
 
Mean-fields etc. are kept constant.
CMF stepsize is adaptive (error control for A and phi).
CMF accuracy: 1.00E-05,      Initial stepsize:  0.125 fs
For spfs, BS integrator
order:  9,  accuracy: 1.00E-05,  initial step:  0.063 fs
For A-coefficients, SIL integrator
order:   6,  accuracy: 1.00E-05,  initial step:  0.063 fs,  
error criterion: standard
Standard-SIL (real) used.
The working equation for the spfs reads:
i dphi/dt = (1-P)(h + ...) phi
Using standard orbitals.
Using operator symmetries
 
***** Numerical parameters *****
 
Machine precision:                                    2.220E-16
Parameter used to regularise inverse density matrix:  1.000E-08
Parameter used to regularise natural orbital matrix:  1.000E-08
 
******** Flags  ********
 
Autocorrelation function is written twice per TOut 
 
***** Output files *****
 
Stop        file created
Output      file opened
Check       file opened
Gridpop     file opened
Speed       file opened
Auto        file opened  (twice)
Update      file opened
 time[fs]       11.000
 
 ERROR in subroutine Wrrst :
 Error opening restart file at t =   11.500fs
 

##############################################################################

 
------ Host: "cauchy" ----------Fri Apr 30 15:18:39 2010
                       
 /worka/dieter/pyr24+IB/standard/p24+

 PID = 16300

--------------------------------------------------------------------------------
****** Source code version ******

Program Version :     8
Release         :     4
Revision        :     5

Heidelberg SVN repository no.: 284   
Checkin date: Fri, 30 Apr 2010, 10:13:13  

Compiled: Fri, 30 Apr 2010, 14:43:24 ; Host: cauchy                             
Program name: mctdh84

Included surfaces: lsth                                                         

Default operator-path: /home/dieter/MCTDH/mctdh84.5/operators                 
--------------------------------------------------------------------------------

###############             CONTINUATION RUN             ###############

******* OPTIONS ****** 
-c 


########################################################################

 Reading Input Files 

########################################################################

Task: rddvr rdoper rdinwf propagation continuation 

**** Reading OPER file ****
Pyrazine+ 24-mode model, bi-linear                                              
Created on:
------ Host: "cauchy" ----------Fri Apr 30 11:45:07 2010
                       

**** RSTINFO: Reading RESTART file ****
Type : wavefunction, file-version =  8.40050
Created on:
------ Host: "cauchy" ----------Fri Apr 30 15:08:57 2010
                                           
 
***** Paths and input files *****
 
~.inp  file copied to input in name directory
name      : /worka/dieter/pyr24+IB/standard/p24+
input     : /worka/dieter/pyr24+IB/standard/p24+.inp
DVR file  : /worka/dieter/pyr24+IB/standard/p24+
OPER file : /worka/dieter/pyr24+IB/standard/p24+
INWF file : /worka/dieter/pyr24+IB/standard/p24+
cross-ref : /worka/dieter/pyr24+IB/standard/p24+/restart

overwrite disabled

 
 WARNING in subroutine Chkprop :
 Symmetric Hamiltonian and real initial state assumed when calculating
 autocorrelation function.

Timing file opened
timing file read

########################################################################

 Reading DVR file: /worka/dieter/pyr24+IB/standard/p24+/dvr

########################################################################


****** Primitive Basis *********

 mode     kappa    DVR    N        xi         xf         dx       p-max

 v10a         1    HO    40     -8.099      8.099   0.415321      8.099   1.0000
 v6a          2    HO    32     -7.126      7.126   0.459730      7.126   1.0000
 v1           3    HO    20     -5.387      5.387   0.567103      5.387   1.0000
 v9a          4    HO    12     -3.890      3.890   0.707223      3.890   1.0000
 v8a          5    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v2           6    HO     4     -1.651      1.651   1.100453      1.651   1.0000
 v4           7    HO    24     -6.016      6.016   0.523124      6.016   1.0000
 v5           8    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v6b          9    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v3          10    HO     8     -2.931      2.931   0.837325      2.931   1.0000
 v8b         11    HO    24     -6.016      6.016   0.523124      6.016   1.0000
 v7b         12    HO     4     -1.651      1.651   1.100453      1.651   1.0000
 v16a        13    HO    24     -6.016      6.016   0.523124      6.016   1.0000
 v17a        14    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v12         15    HO    20     -5.387      5.387   0.567103      5.387   1.0000
 v18a        16    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v19a        17    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v13         18    HO     4     -1.651      1.651   1.100453      1.651   1.0000
 v18b        19    HO    80    -11.888     11.888   0.300959     11.888   1.0000
 v14         20    HO    20     -5.387      5.387   0.567103      5.387   1.0000
 v19b        21    HO    72    -11.226     11.226   0.316237     11.226   1.0000
 v20b        22    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 v16b        23    HO    32     -7.126      7.126   0.459730      7.126   1.0000
 v11         24    HO     6     -2.351      2.351   0.940242      2.351   1.0000
 el          25    el     2


********* SPF Basis ************

 mode     N   n1 n2     dof's

   1   1280   14 11     1  2
   2   1920    8  7     3  4  5
   3    768    6  5     6  9 11
   4   1536    6  4     7  8 10
   5   1920    4  5    13 15 18
   6   5760    7  7    21 19
   7   4320    5  5    16 20 17 14
   8   4608    3  4    22 23 24 12

 Total grid size       : 6.382393E+26
 Length of A-vector    :  2771440
 Length of Phi-vectors :   257984


########################################################################

 Reading OPER file: /worka/dieter/pyr24+IB/standard/p24+/oper

########################################################################

########################################################################

 Propagating Wavefunction 
                                                         Apr 30 15:18:39
########################################################################
 hopsdim  =     211004        1.610 MB
 dgldim   =    3029424       46.225 MB
 pmatdim  =       4580        0.070 MB
 hpsidim  =      40320        0.615 MB
 hlochdim =      12977        0.198 MB
 mfsumdim =    3420800       52.197 MB
 intpsidim=   13857200      211.444 MB
 workcdim =    8467200      129.199 MB
 workrdim =        160        0.001 MB
 
***** Memory used in wavefunction PROPAGATION *****                             
 
Memory size (used / allocated) (in Mb):    631.978 /    663.019
 
** Array dimensions **
 
length of psi/dtpsi    array (used):     3029424         46.225 MB
length of complex      array (used):    35169078        536.638 MB
length of real         array (used):      232988          1.778 MB
length of integer      array (used):           6          0.000 MB
length of logical      array (used):           3          0.000 MB
length of complex (sp) array (used):           1          0.000 MB
length of real    (sp) array (used):           1          0.000 MB
 
total array memory in mb     (used):       630.9
 
**** Global array sizes ****
 
Minimum value for maxdim    :     8  Present value:    32
Minimum value for maxsta    :     2  Present value:    16
Minimum value for maxsub    :    40  Present value:   240
Minimum value for maxkoe    :    56  Present value:  2000

**** Reading OPER file ****
Pyrazine+ 24-mode model, bi-linear                                              
Created on:
------ Host: "cauchy" ----------Fri Apr 30 11:45:07 2010
                       

**** RSTINFO: Reading RESTART file ****
Type : wavefunction, file-version =  8.40050
Created on:
------ Host: "cauchy" ----------Fri Apr 30 15:08:57 2010
                                           

***** Calculation type *****

Wavefunction propagation.
Using Schroedinger picture.
Electronic states in multi-set formalism.
 
***** Integrator algorithm *****
 
Mean-fields etc. are kept constant.
CMF stepsize is adaptive (error control for A and phi).
CMF accuracy: 1.00E-05,      Initial stepsize:  0.500 fs
For spfs, BS integrator
order:  7,  accuracy: 1.00E-05,  initial step:  0.062 fs
For A-coefficients, SIL integrator
order:   6,  accuracy: 1.00E-05,  initial step:  0.062 fs,  
error criterion: standard
Standard-SIL (real) used.
The working equation for the spfs reads:
i dphi/dt = (1-P)(h + ...) phi
Using standard orbitals.
Using operator symmetries
 
***** Numerical parameters *****
 
Machine precision:                                    2.220E-16
Parameter used to regularise inverse density matrix:  1.000E-08
Parameter used to regularise natural orbital matrix:  1.000E-08
 
******** Flags  ********
 
Autocorrelation function is written twice per TOut 
 
***** Output files *****
 
Stop        file created
Output      file opened.  Status: old       
/worka/dieter/pyr24+IB/standard/p24+/output file repositioned
Check       file opened
/worka/dieter/pyr24+IB/standard/p24+/check file repositioned
Gridpop     file opened.  Status: old       
/worka/dieter/pyr24+IB/standard/p24+/gridpop file repositioned
Speed       file opened.  Status: old       
/worka/dieter/pyr24+IB/standard/p24+/speed file repositioned
Auto        file opened  (twice)
/worka/dieter/pyr24+IB/standard/p24+/auto file repositioned
Update      file opened.  Status: old       
/worka/dieter/pyr24+IB/standard/p24+/update file repositioned
 time[fs]      150.000
 
***** Integration method *****
 
Integration method used for the MCTDH-coefficients:
Short iterative Lanczos (real) with variable order.
Maximum order employed:   6
Maximum order allowed:    6
 
Integration method used for the single-particle functions:
Bulirsch-Stoer (BS) with polynomial extrapolation.
Optimal column:  7
 
Number of succesful large BS steps:          15805
Number of failed but fixed large BS steps:      20
Total number of small BS steps:             178618
 
Number of successful Lanczos steps:          1749
Number of failed but fixed Lanczos steps:       0
 
***** Update times *****
 
Number of successful update steps:   583
Number of failed update steps:         0
Mean update time (in fs):        0.23842
Standard deviation (in fs):      0.03342
 
***** God's final message *****
 
Program terminated normally.
 
***** Overall Timing *****
 
Total cpu time     [s] :     272308.68
Total system time  [s] :         71.36
Total time     [h:m:s] :   75 : 39 : 40.04
 
------ Host: "cauchy" ----------Mon May  3 19:22:23 2010
                       
