error: CP2K and libint were compliled with different LIBINT_MAX_AM

feihu liu liufe... at gmail.com
Tue Oct 3 09:10:39 UTC 2017


Is it a version or installation problem? The same error reminders are 
encountered when I run the examples in /tests/QS/regtest-hypbrid.

The CP2K is compiled on Ubuntu 17.04. 

The version I used is :
CP2K version 4.1 
SVN source code revision svn:17462
cp2kflags:libint fftw3 libxc elpa3 parallel mpi3 scalapack



在 2017年10月3日星期二 UTC+8下午4:16:11,feihu liu写道:

> Hi All,
>
> I encountered the error reminder when I was doing DFT calculation with 
> B3LYP (there was no problem when I was doing calculation with PBE 
> functional):
>
>
> ******************************************************************************************
>      ABORT:   CP2K and libint were compliled with different LIBINT_MAX_AM
>
> ******************************************************************************************
> =======Routine Calling Stack========
> 2 hfx_create
> 1 CP2K
>
> Any points are welcome! I would highly appreciate your advises.
>
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