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

[Krishna Mohan G.P.]

 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 (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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