[DFTB-Plus-User] Ctest failing after build

Bálint Aradi aradi at uni-bremen.de
Thu Feb 17 21:48:17 CET 2022


Dear Jerry,

is numpy installed for the default Python3 interpreter? We don't check 
it during the CMake config, but it is actually needed when making the tests.

Otherwise, looking into one of the test folders within 
_build/test/app/dftb+/ may give a clue, we store for every test case 
stderr and stdout in files.

Best regards,

Bálint


On 17.02.22 21:29, Jerry Tanoury wrote:
> Hi,
> I downloaded the source code for v21.2 and built it with ifort and icc 
> from Intel 20.2.3.20210609.  Also, I am on gcc 8.4.0.   I built with:
> 
> cmake -DCMAKE_INSTALL_PREFIX=$HOME/DFTB+/DFTB+v21.1 -B _build
> 
> All my ctests failed.  Config.cmake, CMakeCache.txt and the output 
> during the configure are attached.  No error messages during the build 
> process.
> 
> Could you please help me resolve this.  I prefer to build an mpi version 
> from source using Intel compilers and MKL.  But, this simple test build 
> is failing.
> 
> Best regards,
> Jerry
> 
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/

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