rg2structure2vaspinputs's People
rg2structure2vaspinputs's Issues
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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