vasp计算的时候,最后的输出如下,这是什么问题啊?
将计算的原子改小一点就没有这样的问题。。。 running on108 nodes
distrne band on 1 nodes,108 groups
vasp.4.6.28 25Jul05 complex
POSCAR found :2 types and324 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.364421277399E05 0.36442E05 -0.11238E06 12960 0.218E03
DAV: 2 0.612198390956E04 -0.30320E05 -0.28350E05 12960 0.618E02
DAV: 3 -0.856698022529E03 -0.69787E04 -0.65780E04 14472 0.250E02
DAV: 4 -0.150293630091E04 -0.64624E03 -0.61584E03 14688 0.816E01
DAV: 5 -0.151504165061E04 -0.12105E02 -0.12046E02 14472 0.118E01 0.125E02
DAV: 6 -0.148816643045E04 0.26875E02 -0.18055E03 18468 0.245E02 0.826E01
DAV: 7 -0.130141620672E04 0.18675E03 -0.77774E02 17712 0.613E01 0.460E01
DAV: 8 -0.126437929510E04 0.37037E02 -0.12873E02 19332 0.281E01 0.169E01
DAV: 9 -0.126485612665E04 -0.47683E00 -0.50075E01 19764 0.194E01 0.104E01
DAV:10 -0.126449147486E04 0.36465E00 -0.27472E01 18144 0.149E01 0.559E00
DAV:11 -0.126414677201E04 0.34470E00 -0.23235E00 16632 0.401E00 0.206E00
DAV:12 -0.126425581768E04 -0.10905E00 -0.69668E-01 14688 0.153E00 0.245E00
DAV:13 -0.126417979992E04 0.76018E-01 -0.77231E-01 17064 0.329E00 0.148E00
DAV:14 -0.126414008579E04 0.39714E-01 -0.74182E-02 18900 0.751E-01 0.485E-01
DAV:15 -0.126413795005E04 0.21357E-02 -0.33246E-02 19008 0.327E-01 0.659E-02
DAV:16 -0.126413850553E04 -0.55548E-03 -0.52028E-03 13824 0.958E-02 0.725E-02
DAV:17 -0.126413846485E04 0.40675E-04 -0.85100E-04 14904 0.554E-02
1 F= -.12641385E04 E0= -.12590228E04d E =-.126414E04
yhrun: error: cn293: task 107: Segmentation fault
yhrun: error: cn292: tasks 96-106: Segmentation fault
yhrun: error: cn290: tasks 72-83: Segmentation fault
yhrun: error: cn285: tasks 12-23: Segmentation fault
yhrun: error: cn288: tasks 48-59: Segmentation fault
yhrun: error: cn287: tasks 36-47: Segmentation fault
yhrun: error: cn291: tasks 84-95: Segmentation fault
yhrun: error: cn286: tasks 24-35: Segmentation fault
yhrun: error: cn289: tasks 60-71: Segmentation fault
yhrun: error: cn284: tasks 0-11: Segmentation fault
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