<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV>Dear,</DIV>
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<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif">I get a strange error when running pw.x. The error is:<BR><BR><EM><FONT style="BACKGROUND-COLOR: #ffff40"> </FONT><FONT style="BACKGROUND-COLOR: transparent">total energy = -313.00559496 Ry<BR> Harris-Foulkes estimate = -314.62641196 Ry<BR> estimated scf accuracy < 0.04292274 Ry<BR> total magnetization = 2.00 Bohr mag/cell<BR> absolute magnetization = 3.41 Bohr mag/cell<BR> iteration # 2 ecut= 35.00 Ry beta=0.60<BR>mpiexec_master:
mpd_uncaught_except_tb handling:<BR> exceptions.IOError: [Errno 5] Input/output error<BR> /opt/mpich2/bin/mpiexec 1051 handle_cli_stderr_input<BR> sys.stderr.write(msg)<BR> /opt/mpich2/bin/mpdlib.py 762 handle_active_streams<BR> handler(stream,*args)<BR> /opt/mpich2/bin/mpiexec 515 mpiexec<BR> rv = streamHandler.handle_active_streams(timeout=1.0)<BR> /opt/mpich2/bin/mpiexec 1423 ?<BR> mpiexec()<BR></FONT><BR></EM><BR>This error interprut the running process. I try to run it again with "restart' option and the error is:</DIV>
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<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><FONT style="BACKGROUND-COLOR: #ffff40"> </FONT><FONT style="BACKGROUND-COLOR: transparent"><EM>The initial density is read from file :<BR> ./C8OOH_model11_vcrelax.save/charge-density.dat</EM></FONT></DIV>
<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><BR><EM><FONT style="BACKGROUND-COLOR: transparent"> negative rho (up, down): 0.209E+00 0.219E+00<BR> Starting wfc are 82 atomic wfcs</FONT></EM></DIV>
<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><EM><FONT style="BACKGROUND-COLOR: transparent"> total cpu time spent up to now is 22.03 secs</FONT></EM></DIV>
<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><EM><FONT style="BACKGROUND-COLOR: transparent"> per-process dynamical memory: 20.9 Mb</FONT></EM></DIV>
<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><EM><FONT style="BACKGROUND-COLOR: transparent"> Self-consistent Calculation</FONT></EM></DIV>
<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><EM><FONT style="BACKGROUND-COLOR: transparent"> iteration # 1 ecut= 35.00 Ry beta=0.60<BR>rank 3 in job 13 master_34911 caused collective abort of all ranks<BR> exit status of rank 3: return code 0<BR></FONT></EM></DIV>
<DIV style="FONT-SIZE: 13px; FONT-FAMILY: arial, helvetica, sans-serif"><BR>I don't know where the error comes from and how I can solve this problem.<BR>Please help me.<BR><BR>Best regards,<BR>Loc Duong Dinh<BR>SAINT, Sungkyunkwan University, South Korean.<BR></DIV></DIV></div><br>
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