[DFTB-Plus-User] Ask fro help with installing MPI parallel version

bob zhangchunbo at whu.edu.cn
Wed Sep 23 19:51:27 CEST 2020


Dear DFTB+ users,
I am trying to install MPI parallel version, I followed the manual on the web(https://dftbplus-recipes.readthedocs.io/en/stable/introduction.html <https://dftbplus-recipes.readthedocs.io/en/stable/introduction.html>). The problem is :Executing transaction: /
For Linux 64, Open MPI is built with CUDA awareness but this support is disabled by default.
To enable it, please set the environmental variable OMPI_MCA_opal_cuda_support=true before
launching your MPI processes. Equivalently, you can set the MCA parameter in the command line:
mpiexec --mca opal_cuda_support 1 ...
Executing transaction: /
For Linux 64, Open MPI is built with CUDA awareness but this support is disabled by default.
To enable it, please set the environmental variable OMPI_MCA_opal_cuda_support=true before
launching your MPI processes. Equivalently, you can set the MCA parameter in the command line:
mpiexec --mca opal_cuda_support 1 ….
I don’t know what to do next. Please help me out of this. 
Yours sincerely 
Chunbo Zhang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20200924/db4996d0/attachment.htm>


More information about the DFTB-Plus-User mailing list