| 10:59:46 AM PDT - Wed, Mar 25th 2015 |
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My input file:
start MgMOF-74
title "MgMOF-74"
memory 5000 mb
geometry
C 8.59886355 17.68912997 15.23024421
O 7.79422064 18.43388815 14.85345853
O 9.40505759 16.94410501 15.60704709
Mg 7.88418289 20.67609980 14.51097681
end
charge 2
basis nosegment
* library aug-cc-pVDZ-DK
end
dft
xc m06
iterations 100
end
task dft energy
and the output error:
- quartets = 1.397D+05 #integrals = 7.990D+06 #direct = 0.0% #cached =100.0%
MA_verify_allocator_stuff: starting scan ...
stack block 'ibf_ao', handle 50, address 0x2aab4d69fc38:
current right signature 105 != proper right signature 1431655765
stack block 'l', handle 49, address 0x2aab4d69ffd8:
current checksum 46915226567021 != stored checksum 46915226566822
0:Segmentation Violation error, status=: 11
(rank:0 hostname:node-097 pid:10833):ARMCI DASSERT fail. ../../ga-5-2/armci/src/common/signaltrap.c:SigSegvHandler():310 cond:0
node-097:0.MPID_Abort: node-097:0.MPI Abort by user Aborting program !
node-097:0.MPID_CH_Abort: node-097:0.Aborting program!
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