[CP2K-user] cp2k v8.1: wrong regtests with mpiranks=4

fa...@gmail.com fabia... at gmail.com
Thu Jan 14 10:56:06 UTC 2021


I've compile cp2k 8.1 on my local machine using the toolchain to provide 
the libraries. The computer runs CentOS 7.6 and I used gcc 9.2 for the 
compilation. Cuda is disabled.

Running the regtests with the default mpiranks = 2 sucessfully completes 
the tests. However, when I increase mpiranks to 4 some of the tests are 
wrong (the tests that are wrong are enables both with mpiranks = 2 and 
mpiranks =4). I have attached the output of make test below.

What could cause the increase of the number of mpiranks to result in wrong 

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