[交流] 【求助】LAPACK: Routine ZPOTRF failed! 67 已有1人参与

[zhuqx_hp@node1 lt]$ /home/software/openmpi-1.2.2-intel9/bin/mpirun -np 4 /home/bin/vasp.openmpi
  running on    4 nodes
  distr:  one band on    1 nodes,    4 groups
  vasp.4.6.28 25Jul05 complex
   POSCAR found :  3 types and   20 ions
  LDA part: xc-table for Ceperly-Alder, standard interpolation
  POSCAR, INCAR and KPOINTS ok, starting setup
  WARNING: wrap around errors must be expected
  FFT: planning ...           2
  reading WAVECAR
  LAPACK: Routine ZPOTRF failed!          67
  LAPACK: Routine ZPOTRF failed!          67
  LAPACK: Routine ZPOTRF failed!          67
  LAPACK: Routine ZPOTRF failed!          67