runtime error when running nwchem


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Hi,

Now I'm using fep qmmm module to run my jobs on a cluster. The code runs fine and the jobs are finished sometimes. However, some of them, are aborted at some point of the calculation (although they can be later resumed). All of the jobs run here should take relatively the same amount of time to finish (and I allocated enough time per run). Thus, I think some of them shouldn't be aborted prematurely. I looked into the err file and saw this error:

At line 1656 of file util_md.F
At line 1656 of file util_md.F
Fortran runtime error: End of record
At line 1656 of file util_md.F
Fortran runtime error: End of record
Fortran runtime error: End of record
At line 1656 of file util_md.F
Fortran runtime error: End of record
At line 1656 of file util_md.F
Fortran runtime error: End of record
At line 1656 of file util_md.F
Fortran runtime error: End of record

I then tracked down the code util_md.F. At the line 1656, the code is part of the subroutine md_abort as follows:

subroutine md_abort(string, icode)
     implicit none
  1. include "global.fh"
  2. include "stdio.fh"
     character*(*) string
character*255 card
integer icode
if(ga_nodeid().eq.0) then
write(luout,1000) 0,string,icode
1000 format(/,1x,10('*'),/,' * ',i3,': ',a,i5,/,1x,10('*'))
card=' '
else
write(card,1001) ga_nodeid(),string,icode -----> This is the line 1656
1001 format(' * ',i3,': ',a,i5,' * ')
endif
call ga_error(card,icode)
return
end

Any idea what might have gone wrong here?

Best,
Tee