Thanks so much for the reply. With the suggested memory distribution, the run fails soon after CPHF is initiated
iter nsub residual time
---- ------ -------- ---------
Application 110648 exit codes: 134
Application 110648 resources: utime ~148987s, stime ~22s
and the last few lines of the NWChem error file are:
PE 3 [Fri Nov 21 00:35:48 2014] [c0-0c0s6n0] [nid00012] LIBDMAPP ERROR: BAD CQE status 0x3a80000200000000, SOURCE_SSID_DREQ:MDD_INV
nwchem: ../../ga-5-3/comex/src-dmapp/comex.c:426: dmapp_network_lock: Assertion `dmapp_status == DMAPP_RC_SUCCESS' failed.
_pmiu_daemon(SIGCHLD): [NID 00012] [c0-0c0s6n0] [Fri Nov 21 00:35:48 2014] PE RANK 1 exit signal Aborted
[NID 00012] 2014-11-21 00:36:03 Apid 110648: initiated application termination
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