CCSD(T) issues with NWChem 6.1.1

From NWChem

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

Click here for full thread
Clicked A Few Times
Threads 1
Posts 5
Thank you.
I tried out "log_mtts_per_seg=1" (with "log_num_mtt=24") and "log_mtts_per_seg=3" (with "log_num_mtt=22").
Unfortunately it does not change anything (the error messages stay the same).

After all a compilation problem? Did you try out Intel Composer XE 13 with OpenMPI 1.6.4 on some (Mellanox)
Infiniband hosts?

I also made a compilation with mvapich2 1.9 - the result is ever worse: the jobs hang immediately after submitting
and simple do nothing.


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