[Pw_forum] Interprution of running pw.x

[loc duong ding]

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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