kogareru1z

[test.zip](https://github.com/deepmodeling/abacus-develop/files/15272955/test.zip)

> Can you upload your INPUT files in this Issue? I have upload my file, please check it

> The energy in the first cell loop decrease normally, but after 11 step, the energy is increasing. How can I solve this issue? Is it necessary to use another...

> Hi @kogareru1z , Please make sure your MPI used for running ABACUS is of the same package for building ABACUS. How can I ensure that the MPI used to...

> > > Hi @kogareru1z , Please make sure your MPI used for running ABACUS is of the same package for building ABACUS. > > > > > > How...

> @kogareru1z Please attach the full command line and output using text. command：CXX=icpx cmake -B build -DUSE_CUDA=1 [CMakeError.log](https://github.com/deepmodeling/abacus-develop/files/15103889/CMakeError.log) [CMakeOutput.log](https://github.com/deepmodeling/abacus-develop/files/15103890/CMakeOutput.log)

> > > @kogareru1z Please attach the full command line and output using text. > > > > > > command：CXX=icpx cmake -B build -DUSE_CUDA=1 [CMakeError.log](https://github.com/deepmodeling/abacus-develop/files/15103889/CMakeError.log) [CMakeOutput.log](https://github.com/deepmodeling/abacus-develop/files/15103890/CMakeOutput.log) > > In...