装好了vasp5,从网上下载了例子,可第一个跑的例子就发生错误啦。(跑benchmark还没问题),我是用intel的ifort-11和mpich2编译的,那位有类似的经验,可以分享下嘛?(后来发现并不是每个例子都会报错,第一个报错啦,后面几个没报错)
万分感谢啊。
running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.5.2.8 07Jul10 complex
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop
N E dE d eps ncg rms rms(c)
Segmentation fault