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conda activate not working in shell script

(base) [bxi@gpu1 rg2_1]$ conda env list
# conda environments:
#
rg2conda                 /home/bxi/.conda/envs/rg2conda
base                  *  /opt/anaconda3

You have new mail in /var/spool/mail/bxi

When conda activate rg2conda in shell script, it prompts:


CommandNotFoundError: Your shell has not been properly configured to use 'conda activate'.
To initialize your shell, run

    $ conda init <SHELL_NAME>

Currently supported shells are:
  - bash
  - fish
  - tcsh
  - xonsh
  - zsh
  - powershell

See 'conda init --help' for more information and options.

IMPORTANT: You may need to close and restart your shell after running 'conda init'

Unknown error after submitting job on gpu

vasp-544-n-gpu: symbol lookup error: /opt/intel/compilers_and_libraries_2018.5.274/linux/mpi/intel64/lib/libmpifort.so.12: undefined symbol: MPI_UNWEIGHTED
vasp-544-n-gpu: symbol lookup error: /opt/intel/compilers_and_libraries_2018.5.274/linux/mpi/intel64/lib/libmpifort.so.12: undefined symbol: MPI_UNWEIGHTED
vasp-544-n-gpu: symbol lookup error: /opt/intel/compilers_and_libraries_2018.5.274/linux/mpi/intel64/lib/libmpifort.so.12: undefined symbol: MPI_UNWEIGHTED

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