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[交流]
【求助】fedora中LAMMPS編譯問(wèn)題 已有3人參與
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我在fedora 13中安裝lammps,mpich2和fftw都是用yum裝上的，然后用rpm -ql ***|cat -n去看具體安裝到哪里了： mpich2顯示的是這樣： 1 /etc/mpich2-i386 2 /etc/mpich2-i386/mpe_callstack_ldflags.conf 3 /etc/mpich2-i386/mpe_f77env.conf 4 /etc/mpich2-i386/mpe_graphics.conf 5 /etc/mpich2-i386/mpe_help.conf 6 /etc/mpich2-i386/mpe_log.conf 7 /etc/mpich2-i386/mpe_log_postlib.conf 8 /etc/mpich2-i386/mpe_mpianim.conf 9 /etc/mpich2-i386/mpe_mpicheck.conf 10 /etc/mpich2-i386/mpe_mpilog.conf 11 /etc/mpich2-i386/mpe_mpitrace.conf 12 /etc/mpich2-i386/mpe_nolog.conf 13 /etc/mpich2-i386/mpicc.conf 14 /etc/mpich2-i386/mpicxx.conf 15 /etc/mpich2-i386/mpif77.conf 16 /etc/mpich2-i386/mpif90.conf 17 /etc/mpich2-i386/mpixxx_opts.conf 18 /etc/profile.d/mpich2.csh 19 /etc/profile.d/mpich2.sh 20 /usr/lib/mpich2 21 /usr/lib/mpich2/bin 22 /usr/lib/mpich2/bin/check_callstack 23 /usr/lib/mpich2/bin/mpd 24 /usr/lib/mpich2/bin/mpd.py 25 /usr/lib/mpich2/bin/mpdallexit 26 /usr/lib/mpich2/bin/mpdallexit.py 27 /usr/lib/mpich2/bin/mpdboot 28 /usr/lib/mpich2/bin/mpdboot.py 29 /usr/lib/mpich2/bin/mpdcheck 30 /usr/lib/mpich2/bin/mpdcheck.py 31 /usr/lib/mpich2/bin/mpdchkpyver.py 32 /usr/lib/mpich2/bin/mpdcleanup 33 /usr/lib/mpich2/bin/mpdcleanup.py 34 /usr/lib/mpich2/bin/mpdexit 35 /usr/lib/mpich2/bin/mpdexit.py 36 /usr/lib/mpich2/bin/mpdgdbdrv.py 37 /usr/lib/mpich2/bin/mpdhelp 38 /usr/lib/mpich2/bin/mpdhelp.py 39 /usr/lib/mpich2/bin/mpdkilljob 40 /usr/lib/mpich2/bin/mpdkilljob.py 41 /usr/lib/mpich2/bin/mpdlib.py 42 /usr/lib/mpich2/bin/mpdlistjobs 43 /usr/lib/mpich2/bin/mpdlistjobs.py 44 /usr/lib/mpich2/bin/mpdman.py 45 /usr/lib/mpich2/bin/mpdringtest 46 /usr/lib/mpich2/bin/mpdringtest.py 47 /usr/lib/mpich2/bin/mpdroot 48 /usr/lib/mpich2/bin/mpdrun 49 /usr/lib/mpich2/bin/mpdrun.py 50 /usr/lib/mpich2/bin/mpdsigjob 51 /usr/lib/mpich2/bin/mpdsigjob.py 52 /usr/lib/mpich2/bin/mpdtrace 53 /usr/lib/mpich2/bin/mpdtrace.py 54 /usr/lib/mpich2/bin/mpic++ 55 /usr/lib/mpich2/bin/mpicc 56 /usr/lib/mpich2/bin/mpich2version 57 /usr/lib/mpich2/bin/mpicxx 58 /usr/lib/mpich2/bin/mpiexec 59 /usr/lib/mpich2/bin/mpiexec.gforker 60 /usr/lib/mpich2/bin/mpiexec.hydra 61 /usr/lib/mpich2/bin/mpiexec.py 62 /usr/lib/mpich2/bin/mpif77 63 /usr/lib/mpich2/bin/mpif90 64 /usr/lib/mpich2/bin/mpirun 65 /usr/lib/mpich2/bin/mpirun.py 66 /usr/lib/mpich2/bin/parkill 67 /usr/lib/mpich2/bin/pmi_proxy 68 /usr/lib/mpich2/lib 69 /usr/lib/mpich2/lib/clog2TOdrawable.jar 70 /usr/lib/mpich2/lib/clog2TOslog2.jar 71 /usr/lib/mpich2/lib/clog2print.jar 72 /usr/lib/mpich2/lib/clogTOdrawable.jar 73 /usr/lib/mpich2/lib/clogTOslog2.jar 74 /usr/lib/mpich2/lib/clogprint.jar 75 /usr/lib/mpich2/lib/jumpshot.jar 76 /usr/lib/mpich2/lib/jumpshot_launcher.jar 77 /usr/lib/mpich2/lib/libfmpich.so.1 78 /usr/lib/mpich2/lib/libfmpich.so.1.2 79 /usr/lib/mpich2/lib/libmpich.so.1 80 /usr/lib/mpich2/lib/libmpich.so.1.2 81 /usr/lib/mpich2/lib/libmpichcxx.so.1 82 /usr/lib/mpich2/lib/libmpichcxx.so.1.2 83 /usr/lib/mpich2/lib/libmpichf90.so.1 84 /usr/lib/mpich2/lib/libmpichf90.so.1.2 85 /usr/lib/mpich2/lib/logconvertor.jar 86 /usr/lib/mpich2/lib/mpe_prof.o 87 /usr/lib/mpich2/lib/slog2filter.jar 88 /usr/lib/mpich2/lib/slog2navigator.jar 89 /usr/lib/mpich2/lib/slog2printrecur.jar 90 /usr/lib/mpich2/lib/slog2printserial.jar 91 /usr/lib/mpich2/lib/slog2update205to206.jar 92 /usr/lib/mpich2/lib/traceTOslog2.jar 93 /usr/lib/mpich2/lib/traceprint.jar 94 /usr/lib/python2.6/site-packages/mpich2 95 /usr/share/Modules/modulefiles/mpich2-i386 96 /usr/share/doc/mpich2-1.2.1p1 97 /usr/share/doc/mpich2-1.2.1p1/CHANGES 98 /usr/share/doc/mpich2-1.2.1p1/COPYRIGHT 99 /usr/share/doc/mpich2-1.2.1p1/README 100 /usr/share/doc/mpich2-1.2.1p1/README.mpe2 101 /usr/share/doc/mpich2-1.2.1p1/RELEASE_NOTES 102 /usr/share/man/mpich2 103 /usr/share/man/mpich2/man1 104 /usr/share/man/mpich2/man1/MPI.1.gz 105 /usr/share/man/mpich2/man1/Zeroconf.1.gz 106 /usr/share/man/mpich2/man1/mpd.1.gz 107 /usr/share/man/mpich2/man1/mpdallexit.1.gz 108 /usr/share/man/mpich2/man1/mpdboot.1.gz 109 /usr/share/man/mpich2/man1/mpdcheck.1.gz 110 /usr/share/man/mpich2/man1/mpdchkpyver.1.gz 111 /usr/share/man/mpich2/man1/mpdcleanup.1.gz 112 /usr/share/man/mpich2/man1/mpdexit.1.gz 113 /usr/share/man/mpich2/man1/mpdgdbdrv.1.gz 114 /usr/share/man/mpich2/man1/mpdhelp.1.gz 115 /usr/share/man/mpich2/man1/mpdkilljob.1.gz 116 /usr/share/man/mpich2/man1/mpdlib.1.gz 117 /usr/share/man/mpich2/man1/mpdlistjobs.1.gz 118 /usr/share/man/mpich2/man1/mpdman.1.gz 119 /usr/share/man/mpich2/man1/mpdringtest.1.gz 120 /usr/share/man/mpich2/man1/mpdsigjob.1.gz 121 /usr/share/man/mpich2/man1/mpdtrace.1.gz 122 /usr/share/man/mpich2/man1/mpicc.1.gz 123 /usr/share/man/mpich2/man1/mpicxx.1.gz 124 /usr/share/man/mpich2/man1/mpiexec.1.gz 125 /usr/share/man/mpich2/man1/mpif77.1.gz 126 /usr/share/man/mpich2/man1/mpif90.1.gz fftw顯示的是這樣： 1 /usr/bin/fftw-wisdom 2 /usr/bin/fftw-wisdom-to-conf 3 /usr/bin/fftwf-wisdom 4 /usr/bin/fftwl-wisdom 5 /usr/lib/libfftw3.so.3 6 /usr/lib/libfftw3.so.3.2.4 7 /usr/lib/libfftw3_threads.so.3 8 /usr/lib/libfftw3_threads.so.3.2.4 9 /usr/lib/libfftw3f.so.3 10 /usr/lib/libfftw3f.so.3.2.4 11 /usr/lib/libfftw3f_threads.so.3 12 /usr/lib/libfftw3f_threads.so.3.2.4 13 /usr/lib/libfftw3l.so.3 14 /usr/lib/libfftw3l.so.3.2.4 15 /usr/lib/libfftw3l_threads.so.3 16 /usr/lib/libfftw3l_threads.so.3.2.4 17 /usr/share/doc/fftw-3.2.2 18 /usr/share/doc/fftw-3.2.2/AUTHORS 19 /usr/share/doc/fftw-3.2.2/COPYING 20 /usr/share/doc/fftw-3.2.2/COPYRIGHT 21 /usr/share/doc/fftw-3.2.2/ChangeLog 22 /usr/share/doc/fftw-3.2.2/NEWS 23 /usr/share/doc/fftw-3.2.2/README 24 /usr/share/doc/fftw-3.2.2/README.Cell 25 /usr/share/doc/fftw-3.2.2/TODO 26 /usr/share/man/man1/fftw-wisdom-to-conf.1.gz 27 /usr/share/man/man1/fftw-wisdom.1.gz 28 /usr/share/man/man1/fftwf-wisdom.1.gz 29 /usr/share/man/man1/fftwl-wisdom.1.gz 我把makefile.g++修改成： # g++ = RedHat Linux box, g++, MPICH2, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler CC = g++ CCFLAGS = -g -O DEPFLAGS = -M LINK = g++ LINKFLAGS = -g -O LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # LAMMPS-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK -I//usr/lib/mpich2/include MPI_PATH = -L//usr/lib/mpich2/lib MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW FFT_PATH = -L/usr/lib/ FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section include Makefile.package EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) # Link target $(EXE): $(OBJ) $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) 但是在src中make g++出現(xiàn)問(wèn)題： Makefile:93: pair_lj_charmm_coul_charmm.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_charmm_coul_charmm_implicit.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_charmm_coul_long.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_cut_coul_cut.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_cut_coul_debye.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_cut_coul_long.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_cut_coul_long_tip4p.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_cut.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_expand.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_gromacs_coul_gromacs.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_gromacs.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_lj_smooth.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_morse.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_soft.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_sw.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_table.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_tersoff.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_tersoff_zbl.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pair_yukawa.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pppm.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: pppm_tip4p.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: random_mars.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: random_park.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: read_data.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: read_restart.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_block.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_cone.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_cylinder.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_intersect.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_plane.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_prism.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_sphere.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: region_union.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: remap.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: remap_wrap.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: replicate.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: respa.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: run.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: set.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: shell.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: special.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: temper.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: thermo.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: timer.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: universe.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: update.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: variable.d: 沒(méi)有那個(gè)文件或目錄 Makefile:93: velocity.d: 沒(méi)有那個(gè)文件或目錄 g++ -g -O -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -I//usr/lib/mpich2/include -DFFT_FFTW -M velocity.cpp > velocity.d velocity.cpp:14:17: 錯(cuò)誤：mpi.h：沒(méi)有那個(gè)文件或目錄 make[1]: *** [velocity.d] 錯(cuò)誤 1 make[1]: Leaving directory `/home/zyj/桌面/lammps-15Jan10/lammps-15Jan10/src/Obj_g++' make: *** [g++] 錯(cuò)誤 2 |
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[考研] 304求調(diào)劑 +4 | ahbd 2026-03-14 | 4/200 |
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[考研] 285求調(diào)劑 +6 | ytter 2026-03-12 | 6/300 |
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[考研] 297一志愿上交085600求調(diào)劑 +5 | 指尖八千里 2026-03-14 | 5/250 |
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[考研] 復(fù)試調(diào)劑 +3 | 呼呼？~+123456 2026-03-14 | 3/150 |
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[考研] 297求調(diào)劑 +4 | 學(xué)海漂泊 2026-03-13 | 4/200 |
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[考研] 材料080500調(diào)劑求收留 +3 | 一顆meteor 2026-03-13 | 3/150 |
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[考研] 一志愿西南交大，材料專碩317求調(diào)劑 +5 | lx8568 2026-03-11 | 5/250 |
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[考研] 304求調(diào)劑 +7 | 7712b 2026-03-13 | 7/350 |
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[考研] 考研調(diào)劑 +4 | 芬達(dá)46 2026-03-12 | 4/200 |
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[考研] 321求調(diào)劑（食品/專碩） +3 | xc321 2026-03-12 | 6/300 |
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