When memory is not enough

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Gets Around
Threads 24
Posts 86
I think the reason is that in the modules scr/tce/ccsd; scr/tce/ccsd_t; scr/tce/mrcc ga_get subroutine http://hpc.pnl.gov/globalarrays/api/f_op_api.html#GET is used, on the other hand in the module scr/tce/ccsdt this subroutine is not used.

I just found commit, that implement T1/X1 LOCALIZATION
https://github.com/jeffhammond/nwchem/commit/6b8b2c1b6bac0cab33e2fb3d58cc4a7859b64222

But cancel of this commit does not lead to the correct result.
Edited On 8:29:15 AM PDT - Thu, Mar 12th 2015 by Vladimir


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC