QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: qingfang on July 18, 2010, 04:38

Title: error:
Post by: qingfang on July 18, 2010, 04:38

dear sir or madam:

the version which I used is the trial version 2010.8.0
but if  i choose the  double zeta polarized  basic set
or the k points which i set is bigger than (2.2.50)
it will make a mistake like this
" This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more information. "
so ,may be  higer  degree of accuracy is better.


I appriceiate for your help!

Title: Re: error:
Post by: Nordland on July 18, 2010, 08:40

Most likely the calculation is out on memory. Windows is not really good at giving a good message on this area. I would suggest that you contact the support directly to make sure that it is not a other problem.

The Windows version is a 32bit version, so it only allows for 2 GB of memory to being used by atkpython/vnl. For the next release a Windows 64bit version is already in progress.

Title: Re: error:
Post by: qingfang on July 18, 2010, 15:00

thank you.
but i caculated the transmission spectrum of a device.and set the k points(2,2,20).it made a mistake like this.
"job aborted:
process: node: exit code: error message:
0: localhost: 1: application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

(0) C:\cygwin\home\Administrator\quantumnotes\qw-control\quantumconnect\trunk\external-libs\src\trilinos-10.2.1-Source\packages\ml\src\Comm\ml_exch_row.c, line 883: Out of space in ML_back_to_csrlocal
   tried to allocate 12195776 doubles
napplication called MPI_Abort(MPI_COMM_WORLD, 1) - process 0"

i really don't know what's wrong with my script and software.

thank you very much!

Title: Re: error:
Post by: Anders Blom on July 18, 2010, 22:53

Error messages can be cryptic to understand, but what it means is, that it's asking for memory than you have.