[CP2K-user] [CP2K:18239] CP2K regtest - Runtime Fail

[Trevor Voss]

Hello again everyone, 

First thing to note is that I am a total noob at all of this. This is my 
first time using Linux (luckily I have an expert to help me).

I am working to build CP2K on Ubuntu 22.04.1 LTS with an AMD Threadripper 
3970x and NVIDIA 3090Ti using MPI support with openmp. 

I have successfully compiled CP2K and am now running the regtest. I'll 
attach the error_summary and my arch file. I keep getting a timeout and it 
says "Runtime failure with code -11" for every fail. It says I have 143/198 
correct tests, and 55 failed. Yesterday it was out of 200, so that confuses 
me a bit too. 

I also cannot set the number of jobs using the -j flag. No matter what I 
set it to, the tests use all of my CPU cores. I've also tried using the 
--mpiranks flag and it just gives me an error saying that isn't a flag (but 
then suggests me using the exact same flag). Here are the inputs I have 
been using for that. 

make j 2 ARCH=minimal VERSION=sdbg test TESTOPTS+=”-mpiranks 2 -ompthreads 
2 -maxtasks 2”

make j 2 ARCH=minimal VERSION=sdbg test TESTOPTS+=”--mpiranks 2 
--ompthreads 2 --maxtasks 2”

I've also tried it with just the mpiranks flag. 

Lastly, I also tried using the -d and --debug flags to get more info to 
help fix my issues, but it seems like it didn't actually give me any extra 
info? Maybe I am just missing something. 

Any help on any of this would be greatly appreciated! Thanks for the help! 

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