$ wget https://s3.openkim.org/kim-api/kim-api-vX.Y.Z.txz # replace X.Y.Z with the current version number |
$ tar Jxvf kim-api-vX.Y.Z.txz |
$ cd kim-api-vX.Y.Z |
$ ./configure |
$ make |
$ sudo make install |
$ sudo ldconfig # on Redhat-like systems you may need to first add /usr/local/lib to /etc/ld.so.conf |
$ cp -r ./examples/openkim_tests/utility_forces_numer_deriv "${HOME}/" |
$ cd "${HOME}" |
$ rm -r kim-api-vX.Y.Z kim-api-vX.Y.Z.txz # replace X.Y.Z with the current version number |
$ kim-api-vX-collections-management install system --sudo EDIP_BOP_Bazant_Kaxiras_Si__MO_958932894036_001 |
$ cd utility_forces_numer_deriv |
$ make |
$ cd "${HOME}" also I had installed model MEAM_2NN_Fe_to_Ga__MO_145522277939_001 then I had installed lammps with it by giving following commands lammps/lib/kim $ printf "export PATH=${PATH}:${HOME}/local/bin\n" >> ${HOME}/.bashrc $ source ${HOME}/.bashrc then $ cd lammps/src $ make yes-kim $ make lmp_mpi |
then I was trying to run example file by giving command narsimha@narsimha-desktop:~/Packages/lammps-31Mar17/examples/kim$ mpirun -np 8 ./lmp_mpi -in in.kim.lj LAMMPS (31 Mar 2017) Lattice spacing in x,y,z = 4.43 4.43 4.43 Created orthogonal box = (0 0 0) to (88.6 88.6 88.6) 2 by 2 by 2 MPI processor grid Created 32000 atoms ERROR: Unknown pair style kim (../force.cpp:244) Last command: pair_style kim KIMvirial MEAM_2NN_Fe_to_Ga__MO_145522277939_001 please help to sort these error Regards, Digvijay |
make yes-kimmake lib-kim args="-p /usr/local/kim-api"
make lmp_mpi
make yes-kimmake lib-kim args="-p /usr/local/kim-api"
make lmp_mpibut I am getting error as
make yes-kimmake lib-kim args="-p /usr/local/lib/kim-api-v1"
make mpi
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Still getting errormakefile:132: recipe for target 'lib-kim' failed
make: *** [lib-kim] Error 1for second commandRegards,Digvijay