Compiling CP2K 6.1 with OpenMPI 3.1.2

Margaret Davis megp.... at gmail.com
Wed Sep 19 01:46:14 CEST 2018


Hello,
Has anyone tried to compile and run regression tests for CP2K 6.1 with 
OpenMPI 3.1.2? I've compiled CP2K 6.1 a number of times successfully with 
other versions of OpenMPI. I'm trying to compile it now and I think the 
OpenMPI version is the only thing that has changed. My regression tests are 
running much slower than they have in the past and certains jobs within the 
regressions tests are being killed. I attached my error summary. 
If anyone has experienced this problem or knows how to fix it that would be 
awesome.
Thanks,
Margaret Davis, Syracuse University 
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