sorry the message was cut. However, when I use the same configuration for a
new computer: Systemax model 981091 - Intel core quadI get the following
error at non reproducible intervals:
NSTEP = 32000 TIME(PS) = 186.201 TEMP(K) = 289.61 PRESS =
0.0
Etot = -28480.7941 EKtot = 7231.1811 EPtot =
-35711.9752
BOND = 286.8982 ANGLE = 774.4197 DIHED =
1115.8723
1-4 NB = 373.9270 1-4 EEL = 5943.6287 VDWAALS =
3888.4780
EELEC = -48095.1992 EHBOND = 0.0000 RESTRAINT =
0.0000
Ewald error estimate: 0.3488E-03
------------------------------------------------------------------------------
NSTEP = 33000 TIME(PS) = 187.201 TEMP(K) = 289.75 PRESS =
0.0
Etot = -28482.0763 EKtot = 7234.8307 EPtot =
-35716.9070
BOND = 273.0706 ANGLE = 770.8814 DIHED =
1103.7325
1-4 NB = 365.0504 1-4 EEL = 5948.9635 VDWAALS =
3906.6602
EELEC = -48085.2656 EHBOND = 0.0000 RESTRAINT =
0.0000
Ewald error estimate: 0.3295E-04
------------------------------------------------------------------------------
NSTEP = 34000 TIME(PS) = 188.201 TEMP(K) = 292.64 PRESS =
0.0
Etot = -28482.3229 EKtot = 7306.8466 EPtot =
-35789.1694
BOND = 298.3194 ANGLE = 773.0516 DIHED =
1106.2032
1-4 NB = 378.5118 1-4 EEL = 5980.9467 VDWAALS =
4141.3781
EELEC = -48467.5802 EHBOND = 0.0000 RESTRAINT =
0.0000
Ewald error estimate: 0.6165E-05
------------------------------------------------------------------------------
==> nohup.out <==
--------------------------------------------------------------------------
mpirun noticed that process rank 1 with PID 31400 on node xxx.xxx.xx.xxx
exited on signal 1 (Hangup).
--------------------------------------------------------------------------
2 total processes killed (some possibly by mpirun during cleanup)
I have even run a simulation that was 200000 step without a hangup but the
problem sometimes randomly appears. I believe it is tied to me leaving the
ssh terminal whenever the error does occur. I am using fedora 9.
Has anyone else seen this before?
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Received on Tue Jul 14 2009 - 10:08:21 PDT
