TDDFT aborts, not sure why, doesn't look like it runs out of memory or anything
thanks
Entering Davidson iterations
Restricted singlet excited states
Iter NTrls NConv DeltaV DeltaE Time
---- ------ ------ --------- --------- ---------
1 3 0 0.89E-01 0.10+100 258.1
2 9 0 0.63E-01 0.65E-02 431.4
3 15 0 0.99E-01 0.12E-01 436.3
4 21 0 0.89E-01 0.44E-02 419.0
5 27 0 0.75E-01 0.67E-02 425.6
12: error ival=4
(rank:12 hostname:compute-14-391.local pid:22697):ARMCI DASSERT fail. ../../ga-5-1/armci/src/devices/openib/openib.c:armci_send_complete():459 cond:(pdscr->status==IBV_WC_SUCCESS)
0:Terminate signal was sent, status=: 15
(rank:0 hostname:compute-14-403.local pid:24099):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/signaltrap.c:SigTermHandler():472 cond:0
|