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Error in machine learning force field

Posted: Wed Mar 15, 2023 6:28 pm
by prince_sharma
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

Re: Error in machine learning force field

Posted: Wed Mar 15, 2023 10:15 pm
by henrique_miranda
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?