| 10:32:08 AM PDT - Wed, Sep 18th 2013 |
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HI users,
I am running single SCF calculations,
48 atoms got optimized fine. when i did with 72 atoms, its giving following error.
0:0:diis_driver: error creating ga:: -1
(rank:0 hostname:node31 pid:29821):ARMCI DASSERT fail. ../../ga-5-2/armci/src/common/armci.c:ARMCI_Error():208 cond:0
Last System Error Message from Task 0:: Numerical result out of range
application called MPI_Abort(comm=0x84000001, -1) - process 0
RAM is 54GB, I am using direct in SCF calculation.
Can anyone help me
Thanks
Karteek
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