Error in machine learning force field

Queries about input and output files, running specific calculations, etc.


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prince_sharma
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Error in machine learning force field

#1 Post by prince_sharma » Wed Mar 15, 2023 6:28 pm

Hello,
I'm using ML option in vasp 6.4.0 to generate forcefields. I'm doping the material after every MD run (5000 steps). In the second MD run with a new composition, I used ML_ISTART = 1 and copied ML_ABN (from previous run) to ML_AB.

I'm getting an error warning ---
Warning: RDMA CM Initialization failed. Continuing without RDMA CM support. Please set MV2_USE_RDMA_CM=0 to disable RDMA CM.
---

Could you please suggest the origin and how this should be solved?

Thanks

henrique_miranda
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Re: Error in machine learning force field

#2 Post by henrique_miranda » Wed Mar 15, 2023 10:15 pm

I believe this is an error from your MPI library and not VASP.
https://fossies.org/linux/mvapich2/src/ ... ch3_init.c

Do you get this error only on this ML run or in any type of VASP calculation?

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