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
I tried out your proposals.
Setting ARMCI_DEFAULT_SHMMAX lower than 4096 let the jobs crash immediately after submitting with:

in the output-file:
"rank:23 hostname:f37 pid:22579):ARMCI DASSERT fail. ../../ga-5-1/armci/src/devices/openib/openib.c:armci_pin_contig_hndl():1142 cond:(memhdl->memhndl!=((void *)0))"
....

and in the SGE Error-File:
Last System Error Message from Task 16:: Cannot allocate memory
Last System Error Message from Task 20:: Cannot allocate memory
...

Something with memory is wrong and I guess it's a system setting. But I have no idea anymore what to set different than above mentioned.

Ursula


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