Thank you for the quick answer !
I’m having issues with the version of LAMMPS from 17 february 2022.
the output of ./lmp_mpi -h is :
langagne@DESKTOP-E7CL7KF:/mnt/c/langagne/src$ ./lmp_mpi -h
Large-scale Atomic/Molecular Massively Parallel Simulator - 17 Feb 2022
Usage example: ./lmp_mpi -var t 300 -echo screen -in in.alloy
List of command line options supported by this LAMMPS executable:
-echo none/screen/log/both : echoing of input script (-e)
-help : print this help message (-h)
-in none/filename : read input from file or stdin (default) (-i)
-kokkos on/off … : turn KOKKOS mode on or off (-k)
-log none/filename : where to send log output (-l)
-mdi ‘’ : pass flags to the MolSSI Driver Interface
-mpicolor color : which exe in a multi-exe mpirun cmd (-m)
-cite : select citation reminder style (-c)
-nocite : disable citation reminder (-nc)
-package style … : invoke package command (-pk)
-partition size1 size2 … : assign partition sizes (-p)
-plog basename : basename for partition logs (-pl)
-pscreen basename : basename for partition screens (-ps)
-restart2data rfile dfile … : convert restart to data file (-r2data)
-restart2dump rfile dgroup dstyle dfile …
: convert restart to dump file (-r2dump)
-reorder topology-specs : processor reordering (-r)
-screen none/filename : where to send screen output (-sc)
-skiprun : skip loops in run and minimize (-sr)
-suffix gpu/intel/opt/omp : style suffix to apply (-sf)
-var varname value : set index style variable (-v)
OS: Linux “Ubuntu 18.04.6 LTS” 4.4.0-19041-Microsoft x86_64
Compiler: GNU C++ 7.5.0 with OpenMP not enabled
C++ standard: C++11
MPI v3.1: Open MPI v2.1.1, package: Open MPI buildd@lcy01-amd64-009 Distribution, ident: 2.1.1, repo rev: v2.1.0-100-ga2fdb5b, May 10, 2017
Accelerator configuration:
Active compile time flags:
-DLAMMPS_GZIP
-DLAMMPS_SMALLBIG
sizeof(smallint): 32-bit
sizeof(imageint): 32-bit
sizeof(tagint): 32-bit
sizeof(bigint): 64-bit
Available compression formats:
Extension: .gz Command: gzip
Extension: .bz2 Command: bzip2
Extension: .xz Command: xz
Extension: .lzma Command: xz
Installed packages:
MANYBODY
List of individual style options included in this LAMMPS executable
atomic body charge ellipsoid hybrid
line sphere tri
respa verlet
cg fire fire/old hftn quickmin
sd
adp airebo airebo/morse atm bop
born buck buck/coul/cut comb comb3
coul/cut coul/debye coul/dsf coul/wolf reax
eam eam/alloy eam/cd eam/cd/old eam/fs
eam/he edip edip/multi eim extep
gw gw/zbl hybrid hybrid/overlay hybrid/scaled
lcbop lj/cut lj/cut/coul/cut lj/expand local/density
meam/spline meam/sw/spline morse nb3b/harmonic polymorphic
rebo soft sw sw/mod table
tersoff tersoff/mod tersoff/mod/c tersoff/table tersoff/zbl
vashishta vashishta/table yukawa zbl zero
hybrid zero
hybrid zero
hybrid zero
hybrid zero
-
KSpace styles:
-
Fix styles
adapt addforce ave/atom ave/chunk ave/correlate
ave/histo ave/histo/weight ave/time aveforce
balance box/relax deform deposit ave/spatial
ave/spatial/sphere dt/reset efield enforce2d
evaporate external gravity halt heat
indent langevin lineforce momentum move
nph nph/sphere npt npt/sphere nve
nve/limit nve/noforce nve/sphere nvt nvt/sllod
nvt/sphere planeforce press/berendsen print property/atom
qeq/comb recenter restrain setforce spring
spring/chunk spring/self store/force store/state temp/berendsen
temp/rescale thermal/conductivity vector viscous
wall/harmonic wall/lj1043 wall/lj126 wall/lj93 wall/morse
wall/reflect wall/region
aggregate/atom angle angle/local angmom/chunk bond
bond/local centro/atom centroid/stress/atom chunk/atom
chunk/spread/atom cluster/atom cna/atom com
com/chunk coord/atom dihedral dihedral/local dipole
dipole/chunk displace/atom erotate/sphere erotate/sphere/atom
fragment/atom global/atom group/group gyration gyration/chunk
heat/flux improper improper/local inertia/chunk ke
ke/atom msd msd/chunk omega/chunk orientorder/atom
pair pair/local pe pe/atom pressure
property/atom property/chunk property/local rdf reduce
reduce/chunk reduce/region slice stress/atom temp
temp/chunk temp/com temp/deform temp/partial temp/profile
temp/ramp temp/region temp/sphere torque/chunk vacf
vcm/chunk
block cone cylinder intersect plane
prism sphere union
atom cfg custom image local
movie xyz
balance change_box create_atoms create_bonds create_box
delete_atoms delete_bonds reset_ids kim_init kim_interactions
kim_param kim_property kim_query displace_atoms info
minimize read_data read_dump read_restart replicate
rerun reset_atom_ids reset_mol_ids run set
velocity write_coeff write_data write_dump write_restart
MANYBODY is said to be installed, that’s why I don’t understand.
What should I do to build with CMake ? Do I need to undo everything I did with make ?
Thank you !