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For this error, you may consider to remove |
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I have installed deepmd-kit by sh,but if found lmp can not be paralleled through MPI, only OpenMP can be used, so I copy the User-deepmd from the share folder to the SRC folder in lammps, and use make yes-user-deepmd, make User-deepmd to install, but there is an error. How to solve it?
the error is as follows:
make[1]: Entering directory '/public/home/nsccsz_user131/bin/lammps-29Oct20/src/Obj_user-deepmd'
mpicxx -g -O3 -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -std=c++11 -DHIGH_PREC -I/public/home/nsccsz_user131/bin/deepmd-kit133/include -I/public/home/nsccsz_user131/bin/deepmd-kit133/include -I/public/home/nsccsz_user131/bin/deepmd-kit133/include/deepmd -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../main.cpp
/public/home/nsccsz_user131/bin/deepmd-kit133/bin/mpicxx: line 299: x86_64-conda_cos6-linux-gnu-c++: command not found
make[1]: *** [Makefile:109: main.o] Error 127
make[1]: Leaving directory '/public/home/nsccsz_user131/bin/lammps-29Oct20/src/Obj_user-deepmd'
make: *** [Makefile:212: user-deepmd] Error 2
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