work space exceeded

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lkyang
Posts: 18
Joined: 02 Dec 2014, 12:54
First name(s): YANG
Middle name(s): LONG
Last name(s): KUN
Affiliation: HKUST
Country: China

work space exceeded

Post by lkyang » 22 Nov 2015, 17:39

Hi,
The attachment is my .out file. It reminds that the Work space exceeded in subroutine HR2DRV and the program will be aborted.
I have added the following command in the .dal file. I don't know why it still has this error.
**DALTON INPUT
.RUN RESPONSE
.DIRECT
Any help is appreciated.
Thanks. Best.
YANG longkun
Attachments
znda8tpa1.out
(260.33 KiB) Downloaded 284 times

hjaaj
Posts: 379
Joined: 27 Jun 2013, 18:44
First name(s): Hans Jørgen
Middle name(s): Aagaard
Last name(s): Jensen
Affiliation: Universith of Southern Denmark
Country: Denmark

Re: work space exceeded

Post by hjaaj » 22 Nov 2015, 19:09

You are running your calculation with the default memory allocation of 64 million double precision words, approx. 490 megabytes.
DALTON tells you it needs more memory. To do that add the -mb option to the script. For example, dalton -mb 1500 to tell DALTON that it may use 1500 megabytes (provided you have sufficient memory on your computer for that, but most computers have more than 1.5 gigabytes available for programs nowadays). If you are not using your computer for anything else while DALTON is running, you can give it most of the installed RAM (but not all, do reserve some memory for the operating system and for input/output buffers).

-- Hans Jørgen

lkyang
Posts: 18
Joined: 02 Dec 2014, 12:54
First name(s): YANG
Middle name(s): LONG
Last name(s): KUN
Affiliation: HKUST
Country: China

Re: work space exceeded

Post by lkyang » 06 Dec 2015, 15:45

Dear Hans,
I have tried it. It is done now.
Thanks very much.
Yang Longkun

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