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heikuyu新蟲 (正式寫手)
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[求助]
哪位老師肯幫助我看下,安裝lammps到最后時(shí)出現(xiàn)什么問題 已有1人參與
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我在ubuntukylin13.1下安裝lammps 安裝前安裝了gnu compiler, gnu fortran compiler, C++和 f90 compiler等插件,也不知道哪個(gè)需要 然后開始按網(wǎng)頁(yè)上的說(shuō)明分別安裝fftw-3.3.4.tar.gz、mpich_3.0.4.orig.tar.gz和lammps-1Feb14.tar.gz, 都是lammps網(wǎng)站上的。我把這三個(gè)文件安裝到了/usr/local下。我主要想安裝reaxx。 然后修改Makefile.serial, 運(yùn)行make serial.就始終出現(xiàn)問題。 換成mpich2_1.4.1.orig.tar.gz,結(jié)果也一樣。 MPI_INC = -DMPICH_SKIP_MPICXX -I/usr/local/mpich3/include/ MPI_PATH = -L/usr/local/mpich3/lib MPI_LIB = -L/usr/local/mpich3/lib/libmpich FFT_INC = -I/usr/local/fftw/include/ -DFFT_fftw3 FFT_PATH = -L/usr/local/fftw/lib FFT_LIB = -L/usr/local/fftw/lib/libfftw3 reax_SYSLIB= -L/usr/local/lmp/lib/reax -libreax reax_SYSPATH= -L/usr/local/lmp/lib/reax/ 運(yùn)行錯(cuò)誤結(jié)果是: (省略前面一部分,感覺類似) /usr/local/lmp/src/Obj_serial/../verlet_split.cpp:544:對(duì)‘MPI_Bcast’未定義的引用 /usr/local/lmp/src/Obj_serial/../verlet_split.cpp:545:對(duì)‘MPI_Bcast’未定義的引用 /usr/local/lmp/src/Obj_serial/../verlet_split.cpp:550:對(duì)‘MPI_Scatterv’未定義的引用 verlet_split.o:在函數(shù)‘LAMMPS_NS::VerletSplit::run(int)’中: /usr/local/lmp/src/Obj_serial/../verlet_split.cpp:274:對(duì)‘MPI_Barrier’未定義的引用 /usr/local/lmp/src/Obj_serial/../verlet_split.cpp:316:對(duì)‘MPI_Bcast’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::WriteData(LAMMPS_NS::LAMMPS*)’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:47:對(duì)‘MPI_Comm_rank’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:48:對(duì)‘MPI_Comm_size’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::atoms()’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:313:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:335:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:336:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:337:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:338:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:346:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:347:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::velocities()’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:366:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:388:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:389:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:390:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:391:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:399:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:400:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::bonds()’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:417:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:440:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:441:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:442:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:443:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:452:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:453:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::angles()’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:470:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:493:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:494:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:495:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:496:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:505:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:506:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::dihedrals()’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:541:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:564:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:565:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:566:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:567:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:576:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:577:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::impropers()’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:612:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:635:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:636:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:637:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:638:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:647:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:648:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::fix(int, int)’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:665:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:688:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:689:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:690:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:691:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:700:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:701:對(duì)‘MPI_Rsend’未定義的引用 write_data.o:在函數(shù)‘LAMMPS_NS::WriteData::write(char*)’中: /usr/local/lmp/src/Obj_serial/../write_data.cpp:148:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:157:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_data.cpp:161:對(duì)‘MPI_Allreduce’未定義的引用 write_restart.o:在函數(shù)‘LAMMPS_NS::WriteRestart::WriteRestart(LAMMPS_NS::LAMMPS*)’中: /usr/local/lmp/src/Obj_serial/../write_restart.cpp:71:對(duì)‘MPI_Comm_rank’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:72:對(duì)‘MPI_Comm_size’未定義的引用 write_restart.o:在函數(shù)‘LAMMPS_NS::WriteRestart::file_layout(int)’中: /usr/local/lmp/src/Obj_serial/../write_restart.cpp:555:對(duì)‘MPI_Gather’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:572:對(duì)‘MPI_Bcast’未定義的引用 write_restart.o:在函數(shù)‘LAMMPS_NS::WriteRestart::write(char*)’中: /usr/local/lmp/src/Obj_serial/../write_restart.cpp:239:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:289:對(duì)‘MPI_Allreduce’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:402:對(duì)‘MPI_Irecv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:403:對(duì)‘MPI_Send’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:404:對(duì)‘MPI_Wait’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:405:對(duì)‘MPI_Get_count’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:413:對(duì)‘MPI_Recv’未定義的引用 /usr/local/lmp/src/Obj_serial/../write_restart.cpp:414:對(duì)‘MPI_Rsend’未定義的引用 collect2: error: ld returned 1 exit status make[1]: *** [../lmp_serial] 錯(cuò)誤 1 make[1]:正在離開目錄 `/usr/local/lmp/src/Obj_serial' make: *** [serial] 錯(cuò)誤 2 |

新蟲 (正式寫手)

新蟲 (正式寫手)

金蟲 (小有名氣)
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對(duì)于lib的路徑要具體到那個(gè)執(zhí)行包。比如mpi 要指明libmpich.a 把MPI_LIB = -L/usr/local/mpich3/lib/libmpich.a 同理 fftw 路徑也一樣 FFT_LIB = -L/usr/local/fftw/lib/libfftw3.a 當(dāng)然很多情形下lammps是不支持fftw3 的 一般安裝的是fftw2版本!希望這對(duì)你有幫助。我也是新手!以后方便可以多交流! |
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