Compiling NWChem Advice....

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 9
I got the following error message right after the initialization of the program after building NWChem following these directions:

                                NWChem DFT Module
-----------------


Ti2O4 1Ag C2h BP86/aug-cc-pVDZ(-PP) TDDFT


rank 0 in job 5 computea-01_34827 caused collective abort of all ranks
 exit status of rank 0: killed by signal 9

I was able to run a simple H2O calculation, but as soon as I run a little larger calculation, the job failed. I am using the following compilers and libraries:

/app/intel/Compiler/11.1/072/bin/intel64/ifort
/app/intel/Compiler/11.1/064/bin/intel64/icc
/app/intel/impi/4.0.0.025/
Interconnect is OpenIB.
And I am running on a single node.

Any help will be greatly appreciated.

Shenggang.
Edited On 12:14:40 AM PDT - Mon, Jun 13th 2011 by Shenggangli


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