[CP2K-user] [CP2K:22134] Unable to use CP2k-2025.2 with PLUMED (2.9.3, LOCAL_Q6 CV)

[liu wei]

Dear CP2K developers/users, 

"test.sh" is the PLUMED input file. 
When I add the "LOCAL_Q6" CV in the PLUMED input file, it seems that PLUMED 
read the "test.sh" file successfully as shown in PLUMED.OUT. 
But the calculation was failed, a issue was occurred as shown in 
“x1-test.5475506.out'.
If I remove the "LOCAL_Q6" CV, the MD can work normally. 
I use the GCC-12 and openmpi-4.1.6 provided by supercomputer to compile the 
cp2k. The compute node have 500 GB memory. 

I can't locate the cause of the problem.

Best Regards,
Wei Liu

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