[left]make clean-all delete all object files
make clean-machine delete object files for one machine
make purge purge obsolete copies of package sources
make tar create lmp_src.tar.gz of src dir and packages
make makelib create Makefile.lib for static library build
make makeshlib create Makefile.shlib for shared library build
make makelist create Makefile.list used by old makes
make -f Makefile.lib machine build LAMMPS as static library for machine
make -f Makefile.shlib machine build LAMMPS as shared library for machine
make -f Makefile.list machine build LAMMPS from explicit list of files
make stubs build dummy MPI library in STUBS
make install-python install LAMMPS wrapper in Python
make package list available packages
make package-status status of all packages
make yes-package install a single package in src dir
make no-package remove a single package from src dir
make yes-all install all packages in src dir
make no-all remove all packages from src dir
make yes-standard install all standard packages
make no-standard remove all standard packages
make yes-user install all user packages
make no-user remove all user packages
make no-lib remove all packages with external libs
make package-update replace src files with package files
make package-overwrite replace package files with src files
make package-diff diff src files against package files
make machine build LAMMPS where machine is one of:
# altix = SGI Altix, Intel icc, MPI, FFTs from SGI SCSL library
# bgl = LLNL Blue Gene Light machine, xlC, native MPI, FFTW
# chama - Intel sandybridge with dual socket/eight core nodes, mpic++, openmpi, no FFTW
# cygwin = Windows Cygwin, mpicxx, MPICH, FFTW
# encanto = NM cluster with dual quad-core Xeons, mpicxx, native MPI, FFTW
# fink = Mac OS-X w/ fink libraries, c++, no MPI, FFTW 2.1.5
# g++ = RedHat Linux box, g++4, MPICH2, FFTW
# g++3 = RedHat Linux box, g++ (v3), MPICH2, FFTW
# glory = Linux cluster with 4-way quad cores, Intel mpicxx, native MPI, FFTW
# jaguar = ORNL Jaguar Cray XT5, CC, native MPICH, FFTW
# lam = FreeBSD box, mpic++, LAM/MPI, FFTW
# linux = RedHat Linux box, Intel icc, MPICH2, FFTW
# mac = Apple PowerBook G4 laptop, c++, no MPI, FFTW 2.1.5
# mac_mpi = Apple laptop, gcc 4.6, gfortran, Open MPI 1.4.3, FFTW 2.1.5, QUIP
# mkl = Intel Cluster Tools, mpiicc, MKL MPI, MKL FFT
# odin = 1400 cluster, g++, MPICH, no FFTs
# openmpi = Fedora Core 6, mpic++, OpenMPI-1.1, FFTW2
# pgi = Portland Group compiler, pgCC, MPICH, FFTW
# power5 = IBM Power5+, mpCC_r, native MPI, FFTW
# qed = CSRI cluster, mpiCC, MPICH, no FFTs
# redsky - SUN X6275 with dual socket/quad core nodes, mpic++, openmpi, FFTW
# sdsc = SDSC BG/L machine, xlC, native MPI, FFTW
# seaborg = NERSC IBM machine, mpCC, native MPI, FFTW
# serial = RedHat Linux box, g++4, no MPI, no FFTs
# serial_debug = RedHat Linux box, g++4, no MPI, no FFTs
# sgi = SGI Origin 350 64-bit, SGI MIPSpro CC, SGI MPI, SGI SCSL MP FFTs
# solaris = Sun box, c++, no MPI, no FFTs
# spirit = HP cluster 64-bit, mpicxx, native MPI, FFTW
# storm = Cray Red Storm XT3, Cray CC, native MPI, FFTW
# tacc = UT Lonestar TACC machine, mpiCC, MPI, FFTW
# tbird = Dell cluster with Xeons, Intel mpicxx, native MPI, FFTW
# tesla = 16-proc SGI Onyx3, g++, no MPI, SGI FFTs
# tunnison - 64-bit dual-core Linux cluster, mpic++, OpenMPI-1.1, FFTW2
# xe6 = Cray XE6, Cray CC, native MPI, FFTW
# xt3 = PSC BigBen Cray XT3, CC, native MPI, FFTW
# xt5 = Cray XT5, Cray CC, native MPI, FFTW
[/left]که هیچ کدوم از این کد ها (که فکر میکنم برای کامپایل کردن باشه)کار نمیکنه. بعد تو لینک پایین که آوردم روش کامپایل کردن رو آموزش میده که متاسفانه نمیتونم انجامش بدم. ممنون میشم از دوستان اگه راهنمایی ام کنن.ll
[left]accelerator_cuda.h fix_wall_reflect.cpp
accelerator_omp.h fix_wall_reflect.h
angle_charmm.cpp fix_wall_region.cpp
angle_charmm.h fix_wall_region.h
angle_cosine.cpp FLD
angle_cosine_delta.cpp force.cpp
angle_cosine_delta.h force.h
angle_cosine.h GPU
angle_cosine_periodic.cpp GRANULAR
angle_cosine_periodic.h group.cpp
angle_cosine_squared.cpp group.h
angle_cosine_squared.h image.cpp
angle.cpp image.h
angle.h improper.cpp
angle_harmonic.cpp improper_cvff.cpp
angle_harmonic.h improper_cvff.h
angle_hybrid.cpp improper.h
angle_hybrid.h improper_harmonic.cpp
angle_table.cpp improper_harmonic.h
angle_table.h improper_hybrid.cpp
ASPHERE improper_hybrid.h
atom.cpp improper_umbrella.cpp
atom.h improper_umbrella.h
atom_map.cpp input.cpp
atom_masks.h input.h
atom_vec_angle.cpp Install.sh
atom_vec_angle.h integrate.cpp
atom_vec_atomic.cpp integrate.h
atom_vec_atomic.h irregular.cpp
atom_vec_body.cpp irregular.h
atom_vec_body.h KIM
atom_vec_bond.cpp kissfft.h
atom_vec_bond.h KSPACE
atom_vec_charge.cpp kspace.cpp
atom_vec_charge.h kspace.h
atom_vec.cpp lammps.cpp
atom_vec_ellipsoid.cpp lammps.h
atom_vec_ellipsoid.h lattice.cpp
atom_vec_full.cpp lattice.h
atom_vec_full.h library.cpp
atom_vec.h library.h
atom_vec_hybrid.cpp lmptype.h
atom_vec_hybrid.h lmpwindows.h
atom_vec_line.cpp main.cpp
atom_vec_line.h MAKE
atom_vec_molecular.cpp Makefile
atom_vec_molecular.h Makefile.lib
atom_vec_sphere.cpp Makefile.list
atom_vec_sphere.h Makefile.package
atom_vec_tri.cpp Makefile.package.empty
atom_vec_tri.h Makefile.package.settings
balance.cpp Makefile.package.settings.empty
balance.h Makefile.shlib
BODY Make.py
body.cpp Make.sh
body.h MANYBODY
bond.cpp math_complex.h
bond_fene.cpp math_const.h
bond_fene_expand.cpp math_extra.cpp
bond_fene_expand.h math_extra.h
bond_fene.h math_special.h
bond.h math_vector.h
bond_harmonic.cpp MC
bond_harmonic.h MEAM
bond_hybrid.cpp memory.cpp
bond_hybrid.h memory.h
bond_morse.cpp min_cg.cpp
bond_morse.h min_cg.h
bond_nonlinear.cpp min.cpp
bond_nonlinear.h min_fire.cpp
bond_quartic.cpp min_fire.h
bond_quartic.h min.h
bond_table.cpp min_hftn.cpp
bond_table.h min_hftn.h
change_box.cpp minimize.cpp
change_box.h minimize.h
CLASS2 min_linesearch.cpp
COLLOID min_linesearch.h
comm.cpp min_quickmin.cpp
commgrid.cpp min_quickmin.h
commgrid.h min_sd.cpp
comm.h min_sd.h
compute_angle_local.cpp modify.cpp
compute_angle_local.h modify.h
compute_atom_molecule.cpp MOLECULE
compute_atom_molecule.h msm_cg.cpp
compute_bond_local.cpp msm_cg.h
compute_bond_local.h msm.cpp
compute_centro_atom.cpp msm.h
compute_centro_atom.h my_page.h
compute_cluster_atom.cpp my_pool_chunk.h
compute_cluster_atom.h neigh_bond.cpp
compute_cna_atom.cpp neigh_bond.h
compute_cna_atom.h neighbor.cpp
compute_com.cpp neighbor.h
compute_com.h neigh_derive.cpp
compute_com_molecule.cpp neigh_derive.h
compute_com_molecule.h neigh_full.cpp
compute_contact_atom.cpp neigh_full.h
compute_contact_atom.h neigh_gran.cpp
compute_coord_atom.cpp neigh_gran.h
compute_coord_atom.h neigh_half_bin.cpp
compute.cpp neigh_half_bin.h
compute_dihedral_local.cpp neigh_half_multi.cpp
compute_dihedral_local.h neigh_half_multi.h
compute_displace_atom.cpp neigh_half_nsq.cpp
compute_displace_atom.h neigh_half_nsq.h
compute_erotate_sphere_atom.cpp neigh_list.cpp
compute_erotate_sphere_atom.h neigh_list.h
compute_erotate_sphere.cpp neigh_request.cpp
compute_erotate_sphere.h neigh_request.h
compute_group_group.cpp neigh_respa.cpp
compute_group_group.h neigh_respa.h
compute_gyration.cpp neigh_stencil.cpp
compute_gyration.h Obj_g++
compute_gyration_molecule.cpp Obj_linux
compute_gyration_molecule.h OPT
compute.h output.cpp
compute_heat_flux.cpp output.h
compute_heat_flux.h Package.sh
compute_improper_local.cpp pack.h
compute_improper_local.h pair_adp.cpp
compute_inertia_molecule.cpp pair_adp.h
compute_inertia_molecule.h pair_airebo.cpp
compute_ke_atom.cpp pair_airebo.h
compute_ke_atom.h pair_beck.cpp
compute_ke.cpp pair_beck.h
compute_ke.h pair_bop.cpp
compute_msd.cpp pair_bop.h
compute_msd.h pair_born_coul_long.cpp
compute_msd_molecule.cpp pair_born_coul_long.h
compute_msd_molecule.h pair_born_coul_msm.cpp
compute_msd_nongauss.cpp pair_born_coul_msm.h
compute_msd_nongauss.h pair_born_coul_wolf.cpp
compute_pair.cpp pair_born_coul_wolf.h
compute_pair.h pair_born.cpp
compute_pair_local.cpp pair_born.h
compute_pair_local.h pair_buck_coul_cut.cpp
compute_pe_atom.cpp pair_buck_coul_cut.h
compute_pe_atom.h pair_buck_coul_long.cpp
compute_pe.cpp pair_buck_coul_long.h
compute_pe.h pair_buck_coul_msm.cpp
compute_pressure.cpp pair_buck_coul_msm.h
compute_pressure.h pair_buck.cpp
compute_property_atom.cpp pair_buck.h
compute_property_atom.h pair_buck_long_coul_long.cpp
compute_property_local.cpp pair_buck_long_coul_long.h
compute_property_local.h pair_comb.cpp
compute_property_molecule.cpp pair_comb.h
compute_property_molecule.h pair_coul_cut.cpp
compute_rdf.cpp pair_coul_cut.h
compute_rdf.h pair_coul_debye.cpp
compute_reduce.cpp pair_coul_debye.h
compute_reduce.h pair_coul_dsf.cpp
compute_reduce_region.cpp pair_coul_dsf.h
compute_reduce_region.h pair_coul_long.cpp
compute_slice.cpp pair_coul_long.h
compute_slice.h pair_coul_msm.cpp
compute_stress_atom.cpp pair_coul_msm.h
compute_stress_atom.h pair_coul_wolf.cpp
compute_temp_com.cpp pair_coul_wolf.h
compute_temp_com.h pair.cpp
compute_temp.cpp pair_dpd.cpp
compute_temp_deform.cpp pair_dpd.h
compute_temp_deform.h pair_dpd_tstat.cpp
compute_temp.h pair_dpd_tstat.h
compute_temp_partial.cpp pair_eam_alloy.cpp
compute_temp_partial.h pair_eam_alloy.h
compute_temp_profile.cpp pair_eam.cpp
compute_temp_profile.h pair_eam_fs.cpp
compute_temp_ramp.cpp pair_eam_fs.h
compute_temp_ramp.h pair_eam.h
compute_temp_region.cpp pair_eim.cpp
compute_temp_region.h pair_eim.h
compute_temp_sphere.cpp pair_gauss.cpp
compute_temp_sphere.h pair_gauss.h
compute_ti.cpp pair.h
compute_ti.h pair_hbond_dreiding_lj.cpp
create_atoms.cpp pair_hbond_dreiding_lj.h
create_atoms.h pair_hbond_dreiding_morse.cpp
create_box.cpp pair_hbond_dreiding_morse.h
create_box.h pair_hybrid.cpp
delete_atoms.cpp pair_hybrid.h
delete_atoms.h pair_hybrid_overlay.cpp
delete_bonds.cpp pair_hybrid_overlay.h
delete_bonds.h pair_lcbop.cpp
Depend.sh pair_lcbop.h
dihedral_charmm.cpp pair_lj96_cut.cpp
dihedral_charmm.h pair_lj96_cut.h
dihedral.cpp pair_lj_charmm_coul_charmm.cpp
dihedral.h pair_lj_charmm_coul_charmm.h
dihedral_harmonic.cpp pair_lj_charmm_coul_charmm_implicit.cpp
dihedral_harmonic.h pair_lj_charmm_coul_charmm_implicit.h
dihedral_helix.cpp pair_lj_charmm_coul_long.cpp
dihedral_helix.h pair_lj_charmm_coul_long.h
dihedral_hybrid.cpp pair_lj_charmm_coul_msm.cpp
dihedral_hybrid.h pair_lj_charmm_coul_msm.h
dihedral_multi_harmonic.cpp pair_lj_cubic.cpp
dihedral_multi_harmonic.h pair_lj_cubic.h
dihedral_opls.cpp pair_lj_cut_coul_cut.cpp
dihedral_opls.h pair_lj_cut_coul_cut.h
DIPOLE pair_lj_cut_coul_debye.cpp
displace_atoms.cpp pair_lj_cut_coul_debye.h
displace_atoms.h pair_lj_cut_coul_dsf.cpp
domain.cpp pair_lj_cut_coul_dsf.h
domain.h pair_lj_cut_coul_long.cpp
dump_atom.cpp pair_lj_cut_coul_long.h
dump_atom.h pair_lj_cut_coul_msm.cpp
dump_cfg.cpp pair_lj_cut_coul_msm.h
dump_cfg.h pair_lj_cut.cpp
dump.cpp pair_lj_cut.h
dump_custom.cpp pair_lj_cut_tip4p_cut.cpp
dump_custom.h pair_lj_cut_tip4p_cut.h
dump_dcd.cpp pair_lj_cut_tip4p_long.cpp
dump_dcd.h pair_lj_cut_tip4p_long.h
dump.h pair_lj_expand.cpp
dump_image.cpp pair_lj_expand.h
dump_image.h pair_lj_gromacs_coul_gromacs.cpp
dump_local.cpp pair_lj_gromacs_coul_gromacs.h
dump_local.h pair_lj_gromacs.cpp
dump_xyz.cpp pair_lj_gromacs.h
dump_xyz.h pair_lj_long_coul_long.cpp
error.cpp pair_lj_long_coul_long.h
error.h pair_lj_long_tip4p_long.cpp
ewald.cpp pair_lj_long_tip4p_long.h
ewald_disp.cpp pair_lj_smooth.cpp
ewald_disp.h pair_lj_smooth.h
ewald.h pair_lj_smooth_linear.cpp
fft3d.cpp pair_lj_smooth_linear.h
fft3d.h pair_mie_cut.cpp
fft3d_wrap.cpp pair_mie_cut.h
fft3d_wrap.h pair_morse.cpp
finish.cpp pair_morse.h
finish.h pair_rebo.cpp
fix_adapt.cpp pair_rebo.h
fix_adapt.h pair_soft.cpp
fix_addforce.cpp pair_soft.h
fix_addforce.h pair_sw.cpp
fix_ave_atom.cpp pair_sw.h
fix_ave_atom.h pair_table.cpp
fix_ave_correlate.cpp pair_table.h
fix_ave_correlate.h pair_tersoff.cpp
fix_aveforce.cpp pair_tersoff.h
fix_aveforce.h pair_tersoff_zbl.cpp
fix_ave_histo.cpp pair_tersoff_zbl.h
fix_ave_histo.h pair_yukawa.cpp
fix_ave_spatial.cpp pair_yukawa.h
fix_ave_spatial.h PERI
fix_ave_time.cpp POEMS
fix_ave_time.h pointers.h
fix_balance.cpp pppm_cg.cpp
fix_balance.h pppm_cg.h
fix_box_relax.cpp pppm.cpp
fix_box_relax.h pppm_disp.cpp
fix.cpp pppm_disp.h
fix_deform.cpp pppm_disp_tip4p.cpp
fix_deform.h pppm_disp_tip4p.h
fix_deposit.cpp pppm.h
fix_deposit.h pppm_old.cpp
fix_drag.cpp pppm_old.h
fix_drag.h pppm_stagger.cpp
fix_dt_reset.cpp pppm_stagger.h
fix_dt_reset.h pppm_tip4p.cpp
fix_efield.cpp pppm_tip4p.h
fix_efield.h procmap.cpp
fix_enforce2d.cpp procmap.h
fix_enforce2d.h Purge.list
fix_evaporate.cpp random_mars.cpp
fix_evaporate.h random_mars.h
fix_external.cpp random_park.cpp
fix_external.h random_park.h
fix_gravity.cpp read_data.cpp
fix_gravity.h read_data.h
fix.h read_dump.cpp
fix_heat.cpp read_dump.h
fix_heat.h reader.cpp
fix_indent.cpp reader.h
fix_indent.h reader_native.cpp
fix_langevin.cpp reader_native.h
fix_langevin.h reader_xyz.cpp
fix_lineforce.cpp reader_xyz.h
fix_lineforce.h read_restart.cpp
fix_minimize.cpp read_restart.h
fix_minimize.h REAX
fix_momentum.cpp region_block.cpp
fix_momentum.h region_block.h
fix_move.cpp region_cone.cpp
fix_move.h region_cone.h
fix_nh.cpp region.cpp
fix_nh.h region_cylinder.cpp
fix_nh_sphere.cpp region_cylinder.h
fix_nh_sphere.h region.h
fix_nph.cpp region_intersect.cpp
fix_nph.h region_intersect.h
fix_nph_sphere.cpp region_plane.cpp
fix_nph_sphere.h region_plane.h
fix_npt.cpp region_prism.cpp
fix_npt.h region_prism.h
fix_npt_sphere.cpp region_sphere.cpp
fix_npt_sphere.h region_sphere.h
fix_nve.cpp region_union.cpp
fix_nve.h region_union.h
fix_nve_limit.cpp remap.cpp
fix_nve_limit.h remap.h
fix_nve_noforce.cpp remap_wrap.cpp
fix_nve_noforce.h remap_wrap.h
fix_nve_sphere.cpp REPLICA
fix_nve_sphere.h replicate.cpp
fix_nvt.cpp replicate.h
fix_nvt.h rerun.cpp
fix_nvt_sllod.cpp rerun.h
fix_nvt_sllod.h respa.cpp
fix_nvt_sphere.cpp respa.h
fix_nvt_sphere.h RIGID
fix_orient_fcc.cpp run.cpp
fix_orient_fcc.h run.h
fix_planeforce.cpp set.cpp
fix_planeforce.h set.h
fix_press_berendsen.cpp SHOCK
fix_press_berendsen.h special.cpp
fix_print.cpp special.h
fix_print.h SRD
fix_qeq_comb.cpp STUBS
fix_qeq_comb.h style_angle.h
fix_read_restart.cpp style_atom.h
fix_read_restart.h style_body.h
fix_recenter.cpp style_bond.h
fix_recenter.h style_command.h
fix_respa.cpp style_compute.h
fix_respa.h style_dihedral.h
fix_restrain.cpp style_dump.h
fix_restrain.h style_fix.h
fix_setforce.cpp style_improper.h
fix_setforce.h style_integrate.h
fix_shake.cpp style_kspace.h
fix_shake.h style_minimize.h
fix_shear_history.cpp style_pair.h
fix_shear_history.h style_reader.h
fix_spring.cpp style_region.h
fix_spring.h suffix.h
fix_spring_rg.cpp thermo.cpp
fix_spring_rg.h thermo.h
fix_spring_self.cpp timer.cpp
fix_spring_self.h timer.h
fix_store.cpp universe.cpp
fix_store_force.cpp universe.h
fix_store_force.h update.cpp
fix_store.h update.h
fix_store_state.cpp USER-ATC
fix_store_state.h USER-AWPMD
fix_temp_berendsen.cpp USER-CG-CMM
fix_temp_berendsen.h USER-COLVARS
fix_temp_rescale.cpp USER-CUDA
fix_temp_rescale.h USER-EFF
fix_thermal_conductivity.cpp USER-MISC
fix_thermal_conductivity.h USER-MOLFILE
fix_tmd.cpp USER-OMP
fix_tmd.h USER-PHONON
fix_ttm.cpp USER-REAXC
fix_ttm.h USER-SPH
fix_tune_kspace.cpp variable.cpp
fix_tune_kspace.h variable.h
fix_viscosity.cpp velocity.cpp
fix_viscosity.h velocity.h
fix_viscous.cpp verlet.cpp
fix_viscous.h verlet.h
fix_wall.cpp version.h
fix_wall.h VORONOI
fix_wall_harmonic.cpp WINDOWS
fix_wall_harmonic.h write_data.cpp
fix_wall_lj126.cpp write_data.h
fix_wall_lj126.h write_restart.cpp
fix_wall_lj93.cpp write_restart.h
fix_wall_lj93.h XTC
vahid@vahid-P61-USB3-B3:~/Desktop/lammps-8Jul13/src$ [/left]
sudo apt-get install lammpsچرا می خوای کامپایل کنی؟ نسخه توی مخازن قدیمیه؟ در مخازن اوبونتو 13.04 و 12.10 این نسخه ها وجود داره:[sudo] password for vahid:
E: Could not get lock /var/lib/dpkg/lock - open (11: Resource temporarily unavailable)
E: Unable to lock the administration directory (/var/lib/dpkg/), is another process using it?این خطا رو میدهدو تا نرم افزار رو همزمان نمی تونی نصب کنی!کد: [انتخاب][sudo] password for vahid:
E: Could not get lock /var/lib/dpkg/lock - open (11: Resource temporarily unavailable)
E: Unable to lock the administration directory (/var/lib/dpkg/), is another process using it?
دوست عزیز میخوام از آخرین نسخه اش استفاده کنم و به همین خاطر برام مهمه که فایل اجرایی اش رو داشته باشمآخرین نسخه اش چنده؟
sudo add-apt-repository ppa:gladky-anton/lammps
sudo apt-get update
sudo apt-get install lammps-daily
lammps-daily < in.lj
[left]sudo add-apt-repository ppa:gladky-anton/lammps
sudo apt-get update
[/left]امتحان کردم که داره ظاهرا دانلود میکنه.[left]WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)
using 1 OpenMP thread(s) per MPI task[/left]چطور می تونم این مشکل رو بر طرف کنم؟مثل اینکه برنامه نصب شد lammps-daily روبه عنوان خط فرمان تو ترمینال میشناسه. فقط دو تا سوال دارم:
1. الان بعد از اینکه lammps-daily رو تو ترمینال میزنم هشدار زیر دیده میشه:کد: [انتخاب][left]WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:100)چطور می تونم این مشکل رو بر طرف کنم؟
using 1 OpenMP thread(s) per MPI task[/left]
2. فایل های ورودی این نرم افزار رو باید کجا قرار بدم تا نرم افزار بتونه بخونه؟
export OMP_NUM_THREADS=1
ممنون از راهنمایی تون. مشکل اولم حل شد. نمیدونید فایل های ورودی این نرم افزار رو باید کجا قرار بدم تا نرم افزار بتونه بخونه؟
sudo apt-get install lammps-daily lammps-daily < in.lj