[DFTB-Plus-User] SK parameters for Phosphorus for LC-TD-DFTB

Thomas Niehaus thomas.niehaus at univ-lyon1.fr
Tue Jan 30 15:54:16 CET 2024


Dear David,

the job ran smoothly using dftb+ version 23, see attached output file. I 
enlarged the SubSpaceFactor to 50. 5 seems too small. The job indeed 
takes roughly 3 hours to complete and several GB of memory.

You may also set OMP_NUM_THREADS to one. Sometimes the OpenMP _slows_ 
the calculation down.

Do you get the output after "Iteration  Subspace dimension"?

Best Thomas


-------------------------

|===============================================================================
|
|  DFTB+ development version (commit: cf690f72, base: 23.1)
|
|  Copyright (C) 2006 - 2023  DFTB+ developers group
|
|===============================================================================
|
|  When publishing results obtained with DFTB+, please cite the following
|  reference:
|
|  * DFTB+, a software package for efficient approximate density functional
|    theory based atomistic simulations, J. Chem. Phys. 152, 124101 (2020).
|    [doi: 10.1063/1.5143190]
|
|  You should also cite additional publications crediting the 
parametrization
|  data you use. Please consult the documentation of the SK-files for the
|  references.
|
|===============================================================================

Reading input file 'dftb_in.hsd'
Parser version: 14

--------------------------------------------------------------------------------
Reading SK-files:
/data1/niehaus/SK-SVN/ob2-1-1/shift/C-C.skf
/data1/niehaus/SK-SVN/ob2-1-1/shift/C-H.skf
/data1/niehaus/SK-SVN/ob2-1-1/shift/C-N.skf
/data1/niehaus/SK-SVN/ob2-1-1/shift/H-H.skf
/data1/niehaus/SK-SVN/ob2-1-1/shift/H-N.skf
/data1/niehaus/SK-SVN/ob2-1-1/shift/N-N.skf
Done.


Processed input in HSD format written to 'dftb_pin.hsd'

Starting initialization...
--------------------------------------------------------------------------------
OpenMP threads:              20
Chosen random seed:          20126805
Current stacksize:           unlimited
Mode:                        Static calculation
Self consistent charges:     Yes
SCC-tolerance:                 0.100000E-06
Max. scc iterations:                    200
Shell resolved Hubbard:      No
Spin polarisation:           No
Nr. of up electrons:           348.000000
Nr. of down electrons:         348.000000
Periodic boundaries:         No
Electronic solver:           Relatively robust
Casida solver:               Stratmann, SubSpace:   50
Mixer:                       Broyden mixer
Mixing parameter:                  0.200000
Maximal SCC-cycles:                     200
Nr. of chrg. vec. in memory:            200
Electronic temperature:              0.100000E-07 H 0.272114E-06 eV
Initial charges:             Set automatically (system chrg: 0.000E+00)
Included shells:             C:  s, p
                              H:  s
                              N:  s, p
Range separated hybrid:      Yes
   Screening parameter omega:   0.300000E+00
   Range separated algorithm:   MatrixBased
Extra options:
                              Mulliken analysis

--------------------------------------------------------------------------------

***  Geometry step: 0

  iSCC Total electronic   Diff electronic      SCC error
     1    0.00000000E+00    0.00000000E+00    0.12542912E+01
     2   -0.36024610E+03   -0.36024610E+03    0.10050731E+01
     3   -0.36109361E+03   -0.84751574E+00    0.14891967E+00
     4   -0.37429106E+03   -0.13197452E+02    0.55799849E-01
     5   -0.37477420E+03   -0.48313434E+00    0.16149006E-01
     6   -0.37501438E+03   -0.24017716E+00    0.60834179E-02
     7   -0.37498322E+03    0.31155736E-01    0.47831037E-02
     8   -0.37498363E+03   -0.40848634E-03    0.46502386E-03
     9   -0.37498010E+03    0.35234653E-02    0.19491124E-03
    10   -0.37498072E+03   -0.61257492E-03    0.18293828E-03
    11   -0.37498085E+03   -0.13779427E-03    0.66497762E-04
    12   -0.37498111E+03   -0.25726137E-03    0.18102344E-04
    13   -0.37498112E+03   -0.81703823E-05    0.12845403E-04
    14   -0.37498112E+03   -0.35141761E-05    0.35321772E-05
    15   -0.37498111E+03    0.12004654E-04    0.12369835E-05
    16   -0.37498111E+03    0.33531218E-05    0.80222897E-06
    17   -0.37498111E+03    0.11967474E-05    0.57845593E-06
    18   -0.37498111E+03   -0.89000696E-06    0.21982550E-06
    19   -0.37498111E+03   -0.17003299E-06    0.51144077E-07
 >> Charges saved for restart in charges.bin

 >> Stratmann diagonalisation of response matrix
    Total dimension of A+B: 106488 initial subspace:    200
    Iteration  Subspace dimension
         1             204
         2             208
         3             212
         4             214
         5             216
         6             218
         7             220
         8             221
         9             225
        10             231
        11             237
        12             242
        13             247
 >> Stratmann converged

Total Energy:                     -361.1168003037 H -9826.4881 eV
Extrapolated to 0K:               -361.1168003037 H -9826.4881 eV
Total Mermin free energy:         -361.1168003037 H -9826.4881 eV
Force related energy:             -361.1168003037 H -9826.4881 eV


--------------------------------------------------------------------------------
DFTB+ running times                          cpu [s] wall clock [s]
--------------------------------------------------------------------------------
Global initialisation                  +       0.01 (  0.0%) 0.04 (  0.0%)
Pre-SCC initialisation                 +       0.45 (  0.0%) 0.04 (  0.0%)
SCC                                    +      51.30 (  0.3%) 2.79 (  0.0%)
Post-SCC processing                    +   15627.07 ( 99.7%) 12876.72 
(100.0%)
--------------------------------------------------------------------------------
Missing                                +       0.01 (  0.0%) 0.00 (  0.0%)
Total                                  =   15678.83 (100.0%) 12879.59 
(100.0%)

On 1/29/24 11:18 PM, Mgcf Departmental via DFTB-Plus-User wrote:
> Thanks, Thomas, I've attached the input file and the corresponding 
> structure file.
> best,
> David
>
>
> Dr Kathleen A Durkin,  Dr Dave Small and Dr. Azhagiya Singam
> Molecular Graphics and Computation Facility, College of Chemistry
> University of California, Berkeley, CA 94720-1460
> https://mgcf.cchem.berkeley.edu/ 
> <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://mgcf.cchem.berkeley.edu&key=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> 
>
>
>
>
> On Mon, Jan 29, 2024 at 1:16 AM Thomas Niehaus 
> <thomas.niehaus at univ-lyon1.fr <mailto:thomas.niehaus at univ-lyon1.fr>> 
> wrote:
>
>     Dear David,
>
>     OpenMP is not very effective for TD-DFTB. I am currently working
>     on an MPI parallel code. Can you send me your structure/input
>     file? Then I can have a quick look what might be going on.
>
>     Best Thomas
>
>     On 1/26/24 10:58 PM, Mgcf Departmental via DFTB-Plus-User wrote:
>>     Hi Thomas,
>>
>>     Thanks for your reply.  I totally understand, regarding the
>>     difficulty of creating new parameters, so I think I'll look into
>>     creating an analogue of my molecule that contains e.g. a nitrogen
>>     atom instead of P.  By the way, I was wondering if I could ask
>>     you another question about TD-LC-DFTB.  A test on a small
>>     molecule (21 atoms) went smoothly, but I then tried adding 40
>>     solvent molecules (for 261 atoms in total), and the calculation
>>     gets stuck after the SCC (which itself finishes in only a minute
>>     or so).  I figured that I'm perhaps missing something in the
>>     input file, or in the environment variables.  I'm using a fairly
>>     simply input file, with a TD section like this:
>>
>>     ExcitedState {
>>
>>     Casida {
>>
>>     NrOfExcitations = 4
>>
>>     Symmetry = Singlet
>>
>>     Diagonaliser = Stratmann {SubSpaceFactor = 5}
>>
>>     }
>>
>>
>>     I'm using "ulimit -s unlimited", and I've tried setting
>>     OMP_NUM_THREADS to either 4, 8, 16, or 32 core, and both with or
>>     without setting MKL_NUM_THREADS to the same number.  I've also
>>     tried the calculation both with and without the following:
>>
>>     export OMP_STACKSIZE=6G
>>
>>     export OMP_MAX_ACTIVE_LEVELS=1
>>
>>
>>     In each case, the calculation gets stuck at the point in the
>>     output file where it writes "Stratmann diagonalisation of
>>     response matrix", and appears to make no progress for several
>>     hours.  Do you have any suggestions?
>>
>>     best,
>>     David
>>
>>
>>     Dr Kathleen A Durkin,  Dr Dave Small and Dr. Azhagiya Singam
>>     Molecular Graphics and Computation Facility, College of Chemistry
>>     University of California, Berkeley, CA 94720-1460
>>     https://mgcf.cchem.berkeley.edu/
>>     <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>
>>
>>
>>
>>     On Fri, Jan 26, 2024 at 2:52 AM Thomas Niehaus
>>     <thomas.niehaus at univ-lyon1.fr
>>     <mailto:thomas.niehaus at univ-lyon1.fr>> wrote:
>>
>>         Dear David,
>>
>>         there are currently no parameters for P. I can create them,
>>         but this might take some time and work.
>>
>>         Best Thomas
>>
>>         On 1/26/24 12:55 AM, Mgcf Departmental via DFTB-Plus-User wrote:
>>>         Hi,
>>>
>>>         I'm interested in doing LC-TD-DFTB calculations on a
>>>         molecule that contains (C, H, N, O, P) atoms.  I've used the
>>>         ob2 slater-koster set for a related molecule with just
>>>         C,H,N,O atoms, and the results were promising, so I'd like
>>>         to apply the method to the P-containing molecule as well. 
>>>         Does anyone know if there exist compatible SK parameters for
>>>         this?  I've tried searching the web but didn't find anything.
>>>
>>>         thanks,
>>>         David Small
>>>
>>>
>>>         Dr Kathleen A Durkin,  Dr Dave Small and Dr. Azhagiya Singam
>>>         Molecular Graphics and Computation Facility, College of
>>>         Chemistry
>>>         University of California, Berkeley, CA 94720-1460
>>>         https://mgcf.cchem.berkeley.edu/
>>>         <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>>
>>>
>>>
>>>         _______________________________________________
>>>         DFTB-Plus-User mailing list
>>>         DFTB-Plus-User at mailman.zfn.uni-bremen.de  <mailto:DFTB-Plus-User at mailman.zfn.uni-bremen.de>
>>>         https://MailInBlack.univ-lyon1.fr/securelink/?url=https://mailman.zfn.uni-bremen.de&key=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  <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_dXJsPWh0dHBzOi8vbWFpbG1hbi56Zm4udW5pLWJyZW1lbi5kZSZrZXk9ZXlKc1lXNW5Jam9pUmxJaUxDSjFjbXdpT2lKb2RIUndjem92TDIxaGFXeHRZVzR1ZW1adUxuVnVhUzFpY21WdFpXNHVaR1V2WTJkcExXSnBiaTl0WVdsc2JXRnVMMnhwYzNScGJtWnZMMlJtZEdJdGNHeDFjeTExYzJWeUlpd2lkRzlyWlc0aU9pSm5RVUZCUVVGQ2JITjJWVzlTTTNCWGRrSXpiVzVRZEVoeFkzcG1OSGxETVZCNmJua3llV1UwZUVaNVMyOVJhRUp1ZUdsaVMwTXpNbGRMZUVzNGVURnVXamR6U1UxMGVsbzBaMmRsTkhaaGNYUnRiM3BNV25KZmRVaEdTVXhGZUVVMVNGYzBZWGhyVWxGNVdFRkpjV3RLYldSeE5sSTVZbVkyVTNSQlNsbDFjelptZEZsM1ZrdEZaMTlhTVhkQ1dIWm9PVmxUY25GYVgzRndlbVl6YzIwdE5uWnpkMGxsUVhSRE1EZHFNV3QxU0ZkelJGZGFaMFZsWWsxNlZUUTBWMUU0VTJSbFgxSXhORnBuYzI5V1UwSlpNRVpTZDNReGVWRkpibnBFYjFoUGJWOW1WMVZWUkY5WWRrOTVabUZIT0VkSVVIaHhWMFZsU2tFNWIxaEdORTU2WjBReWJtMVdUREEwVmxCb2NGbGhUQzFQV1ZZeldVaHdibGhtY1VwM2FXeEJNMXAwZDBsVFltcHpkM2xIUWkxb09XaFVPRXN6UzJRelNWTmthM0ZKU1RkaGJpMHhRMU5yZURWa1ZTSjkiLCJ0b2tlbiI6ImdBQUFBQUJsdENzdGQ2WmdUZlJkVFdLdlZBeE52NkZQR3BCN01YcU9pV3o4dktqTmdBbzBGSkx1blFZbjlRQ1R6V1BFZXFqeWZuQ0swUHc3ODZkX1IyTXVhMGlQNkp3dS1hdjJmZU5XZlliRUprZHB1bm9NRTdDTlF0ZGk0LTA3Wjk2MjdiN05OcVhtX0pqdWp4ckVUbXdYS0J5SnlNLUtCRXZBSmR4OS1PeVVCRzNFRktEdFVsT0ZWNWZWcC1iYUdBbW1xdjdOSGZCeTRiMUFYRUN2OWpoNEt0Nm5LU2dvTzVzclE5bmQ5V0M3TENDdUZKb2FlVEo2ZWFmTzkzYzlYcGJhak5HRnZkZmFER0pRT3A1OWtzakFOWHZpRVhsbC1IWXJpTEV1T09ydXQ5QjJOclNIS21tRDd2ajBmR1FzY3duSGloYzhOTGliIn0=>
>>
>>         -- 
>>         Prof. Dr. Thomas Niehaus
>>         Institut Lumière Matière
>>         UMR5306 CNRS
>>         Université Claude Bernard Lyon 1
>>         Domaine Scientifique de La Doua
>>         10 rue Ada Byron
>>         69622 Villeurbanne CEDEX, France
>>         --
>>         Office: Brillouin building, 4th floor, room 006
>>         Tel: +33 472 431 571
>>         Home page:http://ilm-perso.univ-lyon1.fr/~tniehaus  <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>>         Lab:http://ilm.univ-lyon1.fr  <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
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>>     https://MailInBlack.univ-lyon1.fr/securelink/?url=https://mailman.zfn.uni-bremen.de&key=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  <https://MailInBlack.univ-lyon1.fr/securelink/?url=https://MailInBlack.univ-lyon1.fr&key=eyJsYW5nIjoiRlIiLCJ1cmwiOiJodHRwczovL01haWxJbkJsYWNrLnVuaXYtbHlvbjEuZnIvc2VjdXJlbGluay8_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>
>
>     -- 
>     Prof. Dr. Thomas Niehaus
>     Institut Lumière Matière
>     UMR5306 CNRS
>     Université Claude Bernard Lyon 1
>     Domaine Scientifique de La Doua
>     10 rue Ada Byron
>     69622 Villeurbanne CEDEX, France
>     --
>     Office: Brillouin building, 4th floor, room 006
>     Tel: +33 472 431 571
>     Home page:http://ilm-perso.univ-lyon1.fr/~tniehaus  <https://MailInBlack.univ-lyon1.fr/securelink/?url=http://ilm-perso.univ-lyon1.fr&key=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>
>     Lab:http://ilm.univ-lyon1.fr  <https://MailInBlack.univ-lyon1.fr/securelink/?url=http://ilm.univ-lyon1.fr&key=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>
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-- 
Prof. Dr. Thomas Niehaus
Institut Lumière Matière
UMR5306 CNRS
Université Claude Bernard Lyon 1
Domaine Scientifique de La Doua
10 rue Ada Byron
69622 Villeurbanne CEDEX, France
--
Office: Brillouin building, 4th floor, room 006
Tel: +33 472 431 571
Home page: http://ilm-perso.univ-lyon1.fr/~tniehaus
Lab: http://ilm.univ-lyon1.fr
  

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