From NWChem
Viewed 423 times, With a total of 2 Posts
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Clicked A Few Times
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Posts 25
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| 8:17:17 PM PST - Fri, Feb 3rd 2012 |
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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
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Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Gets Around
Threads 4
Posts 104
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| 10:14:08 PM PST - Sun, Feb 5th 2012 |
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Hi Jonas,
Have you checked to see if you ran out of time ?
Best,
-Niri
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Clicked A Few Times
Threads 12
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| 6:52:31 AM PST - Sun, Feb 12th 2012 |
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Niri, what does that mean? How would I check fo that?
Jonas
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