| 4:54:40 PM PST - Thu, Jan 23rd 2014 |
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Hi Edo,
I have tried your suggestion, editing util_md.F and recompiling the code. It seems to fix the previous error but I came across the the following error instead:
solvent molecule 464 moving to non-neighbor 0 from 35 1.05 1.36 0.03 1.05 1.33 -0.06 0.99 1.30 0.08
This error is the same as the one experienced on cascade and reported to MSCF consulting before. Somehow, with the error above, I cannot restart the job from where it's aborted on the cascade. But the job can be restarted with the code (before the util_md.F has been edited as suggested) but sometimes fails with the 'end of record' error in the original post on another cluster I'm using. Whether or not I edited util_md.F, I still have a problem anyway.
Tee
Quote:Edoapra Jan 23rd 4:52 pmTee
You might want to replace the code with this simpler one
subroutine md_abort(string, icode)
implicit none
#include "global.fh"
#include "stdio.fh"
character*(*) string
character*255 card
integer icode
write(luout,1000) ga_nodeid(),string,icode
1000 format(/,1x,10('*'),/,' * ',i3,': ',a,i5,/,1x,10('*'))
card=' '
call ga_error(card,icode)
return
end
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