之前在忙编译vasp6,在使用了一段时间之后又发现了另外的一些问题,具体表现为在特定的cpu上面会出现 severe (168): Program Exception - illegal instruction报错。 查了好久,终于找到解决办法,就是在编译的时候添加 -msse3选项,即在makefile.include里面添加: FC = mpii ...
现有版本vasp只支持wannier1.2,但实际上vasp是可以和wannier2.0兼容的 具体操作如下: The problem seems to be due to the new version of wannier90-2.0.0 (compiled with the current Intel compiler) The variables list of wannier_setup (src/wannier_lib.F90) has two additions compared to wannier90-1.2: ...