| 8:08:59 PM PDT - Mon, Sep 3rd 2012 |
|
Hi everyone,
NWChem provide examples in order to facilitate our learning. However, I encountered some problems in performing these examples, especially on the crown, example for multi-configuration thermodynamics integration, and on dna, example for analysis module. This makes me depressed.
When running crown.nw, NAN is printed in crown_ti.out file, 0.0000 is printed in crown_ti.gib file; when running dna.nw, the error message is
0:Segmentation Violation error, status=: 11
(rank:0 hostname:node20 pid:28328):ARMCI DASSERT fail. signaltrap.c:SigSegvHandler():301 cond:0
0: ARMCI aborting 0 (0).
0: ARMCI aborting 0 (0).
What is the reason? I use precompiled binary NWChem 6.0, single processor. I wish someone can give me some suggestions, thank you very much.
|