From NWChem
You are viewing a single post from the thread title above
|
|
|
Just Got Here
Threads 0
Posts 3
|
|
| 10:48:45 AM - Fri, Nov 5th 2010 |
|
Hello..
Bert Thank you for your answer!!
I have partially solved my problem...
I was forgetting the "spherical nosegment" keywords (required for the correlation-consistent basis set) in the BASIS directive line.
Actually, I don't know why the calculations with the cc-pVDZ (for C,O and H) and 6-31G (for Ni atoms) finished successfully without the "spherical nosegment" statement. (perhaps because the 6-31g presence?).
Well...
After this correction and fixing the memory line according to Bert's comment, the
"ARMCI DASSERT fail. signaltrap.c:SigBusHandler():213 cond:0" Error apparently was solved.
However, now the calculation stop after the first SCF energy calculation when the RI-MP2 module starts. I get the error:
1:Segmentation Violation error, status=: 11
(rank:1 hostname:cl1n006 pid:3330):ARMCI DASSERT fail. signaltrap.c:SigSegvHandler():301 cond:0
Anna
In a trial I got the "Armci error 260 cond:0" and the problem was a wrong keyword in the BASIS directive, I wrote "nosegmented" (wrong) instead of "nosement" (right). Perhaps you problem is related with this.
Thanks again for any reply!..
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
