Dear,
I?get a strange error when running pw.x. The error is:
?total energy????????????? =? -313.00559496 Ry
???? Harris-Foulkes estimate?? =? -314.62641196 Ry
???? estimated scf accuracy??? <???? 0.04292274 Ry
???? total magnetization?????? =???? 2.00 Bohr mag/cell
???? absolute magnetization??? =???? 3.41 Bohr mag/cell
???? iteration #? 2???? ecut=??? 35.00 Ry???? beta=0.60
mpiexec_master: mpd_uncaught_except_tb handling:
? exceptions.IOError: [Errno 5] Input/output error
??? /opt/mpich2/bin/mpiexec? 1051? handle_cli_stderr_input
??????? sys.stderr.write(msg)
??? /opt/mpich2/bin/mpdlib.py? 762? handle_active_streams
??????? handler(stream,*args)
??? /opt/mpich2/bin/mpiexec? 515? mpiexec
??????? rv = streamHandler.handle_active_streams(timeout=1.0)
??? /opt/mpich2/bin/mpiexec? 1423? ?
??????? mpiexec()
This error interprut the running process. I try to run it again with "restart'
option and the error is:
?The initial density is read from file :
???? ./C8OOH_model11_vcrelax.save/charge-density.dat
???? negative rho (up, down):? 0.209E+00 0.219E+00
???? Starting wfc are?? 82 atomic wfcs
???? total cpu time spent up to now is???? 22.03 secs
???? per-process dynamical memory:??? 20.9 Mb
???? Self-consistent Calculation
???? iteration #? 1???? ecut=??? 35.00 Ry???? beta=0.60
rank 3 in job 13? master_34911?? caused collective abort of all ranks
? exit status of rank 3: return code 0
I don't know where the error comes from and how I can solve this problem.
Please help me.
Best regards,
Loc Duong Dinh
SAINT, Sungkyunkwan University, South Korean.
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