yoshiconlab-technical-assistant
commented
4 weeks ago :memo:
yoshida-lab@yoshidakenkyuushitsunoMacBook-Air-2 in.bulk_1 % lmp_serial -h
Large-scale Atomic/Molecular Massively Parallel Simulator - 29 Sep 2021 - Update 3
Usage example: lmp_serial -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 '<mdi flags>' : 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: Darwin 20.6.0 on x86_64
Compiler: Clang C++ Apple LLVM 13.0.0 (clang-1300.0.29.30) with OpenMP not enabled
C++ standard: C++11
MPI v1.2: LAMMPS MPI STUBS for LAMMPS version 29 Sep 2021
Accelerator configuration:
OPENMP package API: Serial
OPENMP package precision: double
Active compile time flags:
-DLAMMPS_GZIP
-DLAMMPS_PNG
-DLAMMPS_JPEG
-DLAMMPS_SMALLBIG
sizeof(smallint): 32-bit
sizeof(imageint): 32-bit
sizeof(tagint): 32-bit
sizeof(bigint): 64-bit
Installed packages:
ASPHERE BOCS BODY BROWNIAN CG-SDK CLASS2 COLLOID CORESHELL DIFFRACTION DIPOLE
DPD-BASIC DPD-MESO DPD-REACT DPD-SMOOTH DRUDE EFF EXTRA-COMPUTE EXTRA-DUMP
EXTRA-FIX EXTRA-MOLECULE EXTRA-PAIR FEP GRANULAR INTERLAYER KIM KSPACE
MANIFOLD MANYBODY MC MEAM MGPT MISC ML-RANN ML-SNAP MOFFF MOLECULE OPENMP OPT
ORIENT PERI PLUGIN PTM QEQ QTB REACTION REAXFF REPLICA RIGID SHOCK SMTBQ SPH
SPIN SRD TALLY UEF YAFF DIELECTRIC ML-IAP PHONON
List of individual style options included in this LAMMPS executable
整理する。