an error when compile lammps with deepmd package

[leiwang1989]

../pppm_dplr.cpp: In member function ‘virtual void LAMMPS_NS::PPPMDPLR::compute(int, int)’:
../pppm_dplr.cpp:89:5: error: ‘cg_peratom’ was not declared in this scope
cg_peratom->ghost_notify();
^~~~~~~~~~
../pppm_dplr.cpp:89:5: note: suggested alternative: ‘eatom’
cg_peratom->ghost_notify();
^~~~~~~~~~
eatom
../pppm_dplr.cpp:130:3: error: ‘cg’ was not declared in this scope
cg->reverse_comm(this,REVERSE_RHO);
^~
../pppm_dplr.cpp:130:3: note: suggested alternative: ‘vg’
cg->reverse_comm(this,REVERSE_RHO);
^~
vg
../pppm_dplr.cpp:150:7: error: ‘cg_peratom’ was not declared in this scope
cg_peratom->forward_comm(this,FORWARD_AD_PERATOM);
^~~~~~~~~~
../pppm_dplr.cpp:150:7: note: suggested alternative: ‘eatom’
cg_peratom->forward_comm(this,FORWARD_AD_PERATOM);
^~~~~~~~~~
eatom
../pppm_dplr.cpp:152:7: error: ‘cg_peratom’ was not declared in this scope
cg_peratom->forward_comm(this,FORWARD_IK_PERATOM);
^~~~~~~~~~

[njzjz]

Can you enable kspace package and/or try a newer version of lammps?

[leiwang1989]

I actually try them both, it does not work. My CPU is from AMD, will this be a problem for conda and this? seem unlikely. Everything was fine, Java, Bazel, tensorflow C++, deeomd C++, until the last step. It seems the compiler cannot find the header file which declares those functions and variables. I can also try with cmake to compile lammps with deepmd, but I am not familiar with it, it can take a while If I focus on it.

[leiwang1989]

mpicxx -g -O3 -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -std=c++11 -DHIGH_PREC -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/deepmd_root/include/deepmd -std=c++11 -DHIGH_PREC -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/deepmd_root/include/deepmd -std=c++11 -DHIGH_PREC -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/deepmd-kit_root/include/deepmd -std=c++11 -DHIGH_PREC -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/deepmd-kit_root/include/deepmd -std=c++11 -DHIGH_PREC -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/tensorflow_root/include -I/home/zit.bam.de/lwang1/deepmd-kit_root/include/deepmd -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../fix_nvt.cpp

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