[DFTB-Plus-User] Execution error in Windows...!!! FAILED : Pointer Array Allocation

[siddheshwar chopra]

Dear Krishna,
Thank you for the necessary information. I would eagerly wait for the 64
bit windows version then.


Regards,

On Mon, May 21, 2018 at 2:38 PM, Krishna Mohan G.P. via DFTB-Plus-User <
dftb-plus-user at mailman.zfn.uni-bremen.de> wrote:

> Dear Sidhu
>
> I think it is because of some problem related to RAM allocation (it was
> happened for the larger systems, in my case)
>
> Compared to 64 bit version that 32 bit dftb+.exe has some limitations ("32-bit
> system can address a maximum of 4 gigabytes
> <https://techterms.com/definition/gigabyte> (4,294,967,296 bytes) of RAM.
> The actual limit is often less – around 3.5 gigabytes – since part of the
> registry is used to store other temporary values besides memory addresses.
> ")
>
> So that I am planning to compile it for a 64 bit and hopefully it will be
> available soon.
>
> By the way can you mail your HSD file for me, so that I can try to run it
> in my Linux pc (or you already did it?)
>
> thanks
>
> km
>
> On Sunday, May 20, 2018, 10:52:37 PM GMT+5:30, siddheshwar chopra <
> sidhusai at gmail.com> wrote:
>
>
> Dear Balint,
> I am trying to run DFTB+ on Windows 7. The ground state calculations
> (ground state) are running well. But when I am trying to run for excited
> state/DFTD3, I am getting the following error:
>
> ###############
> Processed input in HSD format written to 'dftb_pin.hsd'
>
> Starting initialization...
> ------------------------------------------------------------
> ---------------
> -----
> !!! FAILED :   Pointer Array Allocation
> !!! ERR. NR.:  5014
> !!! FILE:      /home/dftbplus-17.1/prog/dftb+/lib_mixer/broydenmixer.F90
> !!! LINE NR.:  128
> ################
>
> Also, I find libdftd3.a,libarpack*.a inside the folder. Are these already
> included in the "dftb+.exe" file?
>
> Please help.
>
> Regards,
>
> --
> *Dr. Siddheshwar chopra,*
>
>
> *M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
> *Amity University, Noida, India.*
>
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-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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