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installation problem #176

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Drawthe opened this issue Sep 23, 2022 · 3 comments
Open

installation problem #176

Drawthe opened this issue Sep 23, 2022 · 3 comments

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@Drawthe
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Drawthe commented Sep 23, 2022

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
image

@Drawthe
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Drawthe commented Sep 23, 2022

n2p2 is downloaded at 07f7b04

@singraber
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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?

@raman-99-code
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*** No targets specified and no makefile found. Stop. while installing n2p2
Screenshot from 2024-09-29 22-00-30

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