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vaspnew

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专业: 基础物理学

[交流] 【求助】vasp could not write to fd=5, errno = 32？已有2人参与

在运行vasp计算之后出现如下信息：
rm_l_1_17586: p4_error: interrupt SIGx: 15
rm_l_1_17586: (86410.093750) net_send: could not write to fd=5, errno = 32
p3_18895: p4_error: net_recv read: probable EOF on socket: 1
p0_17583: (86410.308594) net_send: could not write to fd=4, errno = 32
rm_l_3_18897: (86410.917969) net_send: could not write to fd=5, errno = 32
p3_18895: (86415.734375) net_send: could not write to fd=5, errno = 32
p1_17585: (86416.093750) net_send: could not write to fd=5, errno = 32

不知道是什么原因，请高手赐教！

在查看体系的总能的时候我用：grep entropy= OUTCAR
出现好多个，如果计算正确的话是不是应该只出现一个呢？
谢谢了！

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1楼2010-05-03 10:39:03

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vaspnew

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Originally posted by luxia0210 at 2010-05-03 23:57:38:
呵呵，看不懂你的问题

在计算结合能的时候需要查看体系的总能
用grep entropy= OUTCAR
会搜出来很多个结果：
energy  without entropy=    -149.803982  energy(sigma->0) =    -149.811076
  energy  without entropy=    -149.808770  energy(sigma->0) =    -149.816232
  energy  without entropy=    -149.812994  energy(sigma->0) =    -149.820572
  energy  without entropy=    -149.820428  energy(sigma->0) =    -149.828382
  energy  without entropy=    -149.820992  energy(sigma->0) =    -149.829149
  energy  without entropy=    -149.825003  energy(sigma->0) =    -149.833608
  energy  without entropy=    -149.827436  energy(sigma->0) =    -149.836912
  energy  without entropy=    -149.834898  energy(sigma->0) =    -149.844820
  energy  without entropy=    -149.838705  energy(sigma->0) =    -149.849296
  energy  without entropy=    -149.844695  energy(sigma->0) =    -149.855473
  energy  without entropy=    -149.845904  energy(sigma->0) =    -149.856828
  energy  without entropy=    -149.850686  energy(sigma->0) =    -149.861447
  energy  without entropy=    -149.851588  energy(sigma->0) =    -149.862258
  energy  without entropy=    -149.855859  energy(sigma->0) =    -149.866519
  energy  without entropy=    -149.856477  energy(sigma->0) =    -149.867136
  energy  without entropy=    -149.860179  energy(sigma->0) =    -149.870903
  energy  without entropy=    -149.861248  energy(sigma->0) =    -149.872038
  energy  without entropy=    -149.865392  energy(sigma->0) =    -149.876338
  energy  without entropy=    -149.867429  energy(sigma->0) =    -149.878614
  energy  without entropy=    -149.870990  energy(sigma->0) =    -149.882289
  energy  without entropy=    -149.871788  energy(sigma->0) =    -149.883183
  energy  without entropy=    -149.875237  energy(sigma->0) =    -149.886476
  energy  without entropy=    -149.876355  energy(sigma->0) =    -149.887457

那么体系的总能应该是最后一个吗？

！

[ Last edited by vaspnew on 2010-5-5 at 11:54 ]