[Pw_forum] about 'md'
Dongdong Kang
kddst2005 at yahoo.com.cn
Fri Jan 4 03:16:53 CET 2008
Dear all
I'm working on vibrational properties of GaSe, I have a problem need your help. When I do 'md' with parallel run, a error information occurs in the output file.
I want to know what's wrong and how to solve this problem.
thanks
dongdong kang
the output file:
........................
........................
Entering Dynamics: iteration = 151
time = 0.1461 pico-seconds
ATOMIC_POSITIONS (crystal)
Ga -0.010555758 -0.025997987 0.073707594
Se 0.647991277 0.301269214 0.139014245
Se 0.058735718 0.048266323 0.360735776
Ga 0.399531320 0.721859528 0.428022848
Ga 0.316194560 0.701828747 0.569304531
Se -0.013253671 0.045252312 0.636151252
Se 0.641332389 0.283606920 0.863446350
Ga -0.040170969 -0.077639383 0.929703863
kinetic energy (Ekin) = 0.00987857 Ry
temperature = 148.54294695 K
Ekin + Etot (const) = -94.24971227 Ry
Linear momentum : 0.0000000000 0.0000000000 0.0000000000
p0_18818: p4_error: interrupt SIGSEGV: 11
rm_l_1_18840: (3456.863950) net_send: could not write to fd=5, errno = 32
rm_l_2_18861: (3451.681321) net_send: could not write to fd=5, errno = 32
rm_l_3_18882: (3451.460365) net_send: could not write to fd=5, errno = 32
p2_18844: (3457.705481) net_send: could not write to fd=5, errno = 32
Kang
National University of Defense Technology, P R China
410073, Hunan, Changsha
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