I ran an input file that is attached but the following error I got-----
Any help will be appreciated.
Integral file = ./full.aoints.0
Record size in doubles = 65536 No. of integs per rec = 32766
Max. records in memory = 0 Max. records in file = ********
No. of bits per label = 16 No. of bits per value = 64
eaf_write: rc ne bytes -1999 bytes 524288
IO offset 52687273984.0000
IO error message >Write Failed
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int2e_packed_buf_write: write failed 0
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current input line :
78: task DFT optimize
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This error has not yet been assigned to a category
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For more information see the NWChem manual at
https://github.com/nwchemgit/nwchem/wiki For further details see manual section:
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[0] ARMCI Error: 0:int2e_packed_buf_write: write failed:
Abort(-1) on node 0 (rank 0 in comm 496): application called MPI_Abort(comm=0x84000002, -1) - process 0