Installed YES: package MOLECULE Installed NO: package MOLFILE Installed NO: package MPIIO Installed NO: package MSCG Installed NO: package NETCDF Installed NO: package OPENMP Installed NO: package OPT Installed NO: package ORIENT Installed NO: package PERI Installed NO: package PHONON Installed NO:...
set(ALL_PACKAGES CLASS2 COLLOID COMPRESS EXTRA-COMPUTE EXTRA-DUMP EXTRA-FIX EXTRA-MOLECULE EXTRA-PAIR INTEL KSPACE LEPTON MANIFOLD MANYBODY MC MEAM MISC MOLECULE MOLFILE OPENMP OPT ORIENT PERI PHONON PLUGIN POEMS QEQ REACTION REAXFF REPLICA RIGID SHOCK SPH) foreach(PKG ${ALL_PACKAGES}) set(PKG...
units real atom_style atomic region box block 0 10 0 10 0 10 create_box 1 box create_atoms 1 box pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 neighbor 2.0 bin neigh_modify delay 10 fix 1 all nve run 10 variable e equal pe thermo 1 thermo_style custom step temp e python my_sc...
find/initialize a specified accelerator device (src/GPU/gpu_extra.h:35)Last command: package gpu...
ARGS="-D PKG_ASPHERE=ON -DPKG_BODY=ON -D PKG_CLASS2=ON -D PKG_COLLOID=ON -D PKG_COMPRESS=OFF -D PKG_CORESHELL=ON -D PKG_DIPOLE=ON -D PKG_EXTRA-COMPUTE=ON -D PKG_EXTRA-DUMP=ON -D PKG_EXTRA-FIX=ON -D PKG_EXTRA-MOLECULE=ON -D PKG_EXTRA-PAIR=ON -D PKG_GRANULAR=ON -D...
% make package-status [root@hpc-gekko1 src]# make package-status Installed YES: package ASPHERE Installed YES: package BODY Installed YES: package CLASS2 Installed YES: package COLLOID Installed YES: package COMPRESS Installed YES: package CORESHELL Installed YES: package DIPOLE Installed NO: packa...
Public development project of the LAMMPS MD software package - lammps/src/EXTRA-FIX/fix_nonaffine_displacement.cpp at 56a9192cf3245912891caf0c4d96762674867b24 · lammps/lammps
make yes-kspace make yes-extra-fix make yes-user-deepmd You can enable any other package you want. Now build LAMMPS make mpi -j4 If everything works fine, you will end up with an executable lmp_mpi. ./lmp_mpi -h The DeePMD-kit module can be removed from the LAMMPS source code...
find/initialize a specified accelerator device (src/GPU/gpu_extra.h:35)Last command: package gpu...
make yes-kspace make yes-extra-fix make yes-user-deepmd You can enable any other package you want. Now build LAMMPS make mpi -j4 If everything works fine, you will end up with an executable lmp_mpi. ./lmp_mpi -h The DeePMD-kit module can be removed from the LAMMPS source code...