Hi, I am calculating TDDFT and not sure why it is aborting at this point. I am specifying memory 18000 mb on a 24 Gb RAM node
thanks
JOnas
Entering Davidson iterations
Restricted singlet excited states
Iter NTrls NConv DeltaV DeltaE Time
---- ------ ------ --------- --------- ---------
0:CreateSharedRegion:kr_malloc failed KB=: 190440
(rank:0 hostname:compute-14-410.local pid:23426):ARMCI DASSERT fail. ../../ga-5-2/armci/src/memory/shmem.c:Create_Shared_Re
|