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Hello, I installed n2p2 with your modification and it is very smooth, but when I combine n2p2 with lammps
Citing https://compphysvienna.github.io/n2p2/interfaces/if_lammps.html
After compiling lammps, the error still occurs, can you provide some advice
surroundings:
gcc==4.5
lammps==29Sep2021
gsl==2.7.1
eigen==3.2.10
intel compiler ==2017.5
I compiled lammps using Makefile.intel_cpu_intelmpi under lammps-stable_29Sep2021/src/MAKE/OPTIONS
There is no problem with the compilation process. The program can run one or two examples in n2p2/examples/interface-LAMMPS with 1 core, but there is even an error when running on multiple cores. If you can help me check it, I can provide you with the input file, thank you very much
The text was updated successfully, but these errors were encountered:
The 4G-HDNNP branch is not ready for production! Please don't use it, I will not give any support until it has been merged and properly released. Have you tried with the current master version?
Hello, I installed n2p2 with your modification and it is very smooth, but when I combine n2p2 with lammps
Citing https://compphysvienna.github.io/n2p2/interfaces/if_lammps.html
After compiling lammps, the error still occurs, can you provide some advice
surroundings:
gcc==4.5
lammps==29Sep2021
gsl==2.7.1
eigen==3.2.10
intel compiler ==2017.5
I compiled lammps using Makefile.intel_cpu_intelmpi under lammps-stable_29Sep2021/src/MAKE/OPTIONS
There is no problem with the compilation process. The program can run one or two examples in n2p2/examples/interface-LAMMPS with 1 core, but there is even an error when running on multiple cores. If you can help me check it, I can provide you with the input file, thank you very much
The text was updated successfully, but these errors were encountered: