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EOF during read
#37897 05/27/20 10:21 AM
Joined: Oct 2019
Posts: 12
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vht Offline OP
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Hi all,

The following error was given for the calculation which continued with the restart file.

CHARMM> dyna leap cpt restart -
CHARMM> timestep 0.001 nstep 200000 nprint 10000 - ! do 200 picoseconds, 1 fs time steps
CHARMM> iunrea 51 iunwri 41 iuncrd 31 nsavcc 100 - ! units for reading/writing restarts and coordinate trajectory
CHARMM> hoover reft 310.0 tmass @tmass - ! hoover thermostat, constant temp - 310 K, tmass as above
CHARMM> pcons pint pref 1.0 pmass @pmass pgamma 0.0 - ! constant pressure, 1 atmosphere, use internal virial (pint), collision freq. 0
CHARMM> ihtfrq 0 ieqfrq 0 ntrfrq 500 - ! temperature under Hoover's control, cancel rotation/translation every 10 steps
CHARMM> iasors 1 iasvel 1 iscvel 0 ichecw 0 - ! since we're restarting and ihtfrq = ieqfrq = 0, these don't really matter
CHARMM> echeck 100. ! check energy diff as before
Parameter: TMASS -> "109460"
Parameter: PMASS -> "10946"
IUNREA = 51 IUNWRI = 41 IUNOS = -1
IUNCRD = 31 IUNVEL = -1 KUNIT = -1

***** LEVEL -3 WARNING FROM *****
***** EOF during read
******************************************
BOMLEV ( -1) IS REACHED - TERMINATING. WRNLEV IS 5

The respective restart file is completed and could you please let me know if there any solution for this to overcome?

Thanks

Re: EOF during read
vht #37898 05/27/20 03:41 PM
Joined: Sep 2003
Posts: 8,470
rmv Online Content
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Posts: 8,470
Check the log from the previous run for errors; there are some cases where an error generates a bad restart file.

Try reading the coordinates, delta coordinates, and velocities via READ COOR DYNR as a test.


Rick Venable
computational chemist


Moderated by  lennart, rmv 

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