facing error while running nwchem on supercomputer

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Ekant V. vats

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Oct 27, 2020, 2:53:09 AM10/27/20
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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
 ------------------------------------------------------------------------
 int2e_packed_buf_write: write failed                   0
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line :
    78: task DFT  optimize
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 This error has not yet been assigned to a category
 ------------------------------------------------------------------------
 For more information see the NWChem manual at
 https://github.com/nwchemgit/nwchem/wiki


 For further details see manual section:
 No section for this category                                                  
                                                                               
                                                                               
                   
[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
xyz.nw

Edoardo Aprà

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Oct 27, 2020, 2:54:51 AM10/27/20
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