| 查看: 1412 | 回复: 4 | ||
mika金虫 (正式写手)
纳米宝贝
|
[求助]
Pwscf编译出错
|
|
在编译espresso5.0.2的时候，先./configure，结果成功，然后make all，就出现了下面的错误，请高手指教啊： /opt/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_Pack.o): In function `BI_Pack': _BI_Pack.c  .text+0x13): undefined reference to `ompi_mpi_byte'_BI_Pack.c .text+0x6b): undefined reference to `ompi_mpi_packed'/opt/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_GetMpiGeType.o): In function `BI_GetMpiGeType': _BI_GetMpiGeType.c .text+0x32): undefined reference to `ompi_mpi_byte'/opt/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_GetMpiTrType.o): In function `BI_GetMpiTrType': _BI_GetMpiTrType.c .text+0xa4): undefined reference to `ompi_mpi_byte'/opt/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_MPI_C_to_f77_trans_comm.o): In function `BI_MPI_C_to_f77_trans_comm': _BI_MPI_C_to_f77_trans_comm.c .text+0x6): undefined reference to `MPI_Comm_c2f'/opt/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(sys2blacs_handle_.oo): In function `Csys2blacs_handle': _sys2blacs_handle_.c .text+0x21): undefined reference to `ompi_mpi_comm_null'_sys2blacs_handle_.c .text+0x98): undefined reference to `ompi_mpi_comm_world'_sys2blacs_handle_.c .text+0x166): undefined reference to `ompi_mpi_comm_world'/opt/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(BI_MPI_F77_to_c_trans_comm.o): In function `BI_MPI_F77_to_c_trans_comm': _BI_MPI_F77_to_c_trans_comm.c .text+0x6): undefined reference to `MPI_Comm_f2c'make[2]: *** [pw.x] Error 1 |
回复此楼» 猜你喜欢
» 本主题相关价值贴推荐，对您同样有帮助:
请教：PWscf编译后运行example01 出错，出现ERROR IN：iotk_scan_end 应该怎么解决？
已经有5人回复
- pwscf计算integrated charge出错及不收敛
已经有13人回复
- PWSCF在哪里设置lapack？再问一句声子谱对角化出错是lapack的问题吗？
已经有4人回复
- pwscf并行计算时总是隔一段时间重新开始
已经有5人回复
- 关于PWscf中的位置坐标设置问题
已经有15人回复
- PWSCF在安装完之后用pwgui运行，马上就stop了，然后出现了错误
已经有5人回复
- Abinit计算声子问题
已经有10人回复
- 请问Pwscf可以在单机上运行吗
已经有4人回复
- espresso-4.3.1安装完成后运行example里面的例子出错
已经有4人回复
- [求助]PWscf安装
已经有11人回复
- 【求助】pwscf错误提示diagonalization(ZHEGV*) falied
已经有8人回复
- 【求助】mpi vasp问题
已经有32人回复
- 【求助】mpi不并行。。。
已经有6人回复
- 【求助】求Fortan90或Fortran95编译器，安装PWscf用的。
已经有6人回复
- 【求助】pwscf做计算，编译器的选择
已经有5人回复
- 【求助】pwscf中的问题
已经有4人回复
goldenfisher
金虫 (著名写手)
- 1ST强帖: 3
- 应助: 55 (初中生)
- 贵宾: 0.153
- 金币: 5779.1
- 散金: 2908
- 红花: 21
- 帖子: 1552
- 在线: 351.5小时
- 虫号: 117764
- 注册: 2005-11-26
- 性别: GG
- 专业: 原子和分子物理
2楼2013-03-08 16:39:24
mika
金虫 (正式写手)
纳米宝贝
- 应助: 6 (幼儿园)
- 金币: 992.4
- 散金: 76
- 帖子: 401
- 在线: 121小时
- 虫号: 836617
- 注册: 2009-08-29
- 性别: MM
- 专业: 凝聚态物性 II ：电子结构
|
其实make.sys我是自动配置的，没有任何指定的东西，就发现总是出现链接不上openmpi的那个库函数，然后我就改成了intel，也就是将原来的openmpi改成了intelmpi，然后编译就没问题了。 ELPA_LIBS_SWITCH = disabled SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 这个问题我在编译别的软件的时候也有遇到，是不是用了ifort编译器就不能用openmpi？请指点  # make.sys. Generated from make.sys.in by configure. # compilation rules .SUFFIXES : .SUFFIXES : .o .c .f .f90 # most fortran compilers can directly preprocess c-like directives: use # $(MPIF90) $(F90FLAGS) -c $< # if explicit preprocessing by the C preprocessor is needed, use: # $(CPP) $(CPPFLAGS) $< -o $*.F90 # $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o # remember the tabulator in the first column !!! .f90.o: $(MPIF90) $(F90FLAGS) -c $< # .f.o and .c.o: do not modify .f.o: $(F77) $(FFLAGS) -c $< .c.o: $(CC) $(CFLAGS) -c $< # DFLAGS = precompilation options (possible arguments to -D and -U) # used by the C compiler and preprocessor # FDFLAGS = as DFLAGS, for the f90 compiler # See include/defs.h.README for a list of options and their meaning # With the exception of IBM xlf, FDFLAGS = $(DFLAGS) # For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas MANUAL_DFLAGS = DFLAGS = -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK $(MANUAL_DFLAGS) FDFLAGS = $(DFLAGS) # IFLAGS = how to locate directories where files to be included are # In most cases, IFLAGS = -I../include IFLAGS = -I../include # MOD_FLAGS = flag used by f90 compiler to locate modules # Each Makefile defines the list of needed modules in MODFLAGS MOD_FLAG = -I # Compilers: fortran-90, fortran-77, C # If a parallel compilation is desired, MPIF90 should be a fortran-90 # compiler that produces executables for parallel execution using MPI # (such as for instance mpif90, mpf90, mpxlf90,...); # otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...) # If you have a parallel machine but no suitable candidate for MPIF90, # try to specify the directory containing "mpif.h" in IFLAGS # and to specify the location of MPI libraries in MPI_LIBS MPIF90 = mpif90 #F90 = ifort CC = cc F77 = ifort # C preprocessor and preprocessing flags - for explicit preprocessing, # if needed (see the compilation rules above) # preprocessing flags must include DFLAGS and IFLAGS CPP = cpp CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS) # compiler flags: C, F90, F77 # C flags must include DFLAGS and IFLAGS # F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax CFLAGS = -O3 $(DFLAGS) $(IFLAGS) F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS) FFLAGS = -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 # compiler flags without optimization for fortran-77 # the latter is NEEDED to properly compile dlamch.f, used by lapack FFLAGS_NOOPT = -O0 -assume byterecl -g -traceback # compiler flag needed by some compilers when the main is not fortran # Currently used for Yambo FFLAGS_NOMAIN = -nofor_main # Linker, linker-specific flags (if any) # Typically LD coincides with F90 or MPIF90, LD_LIBS is empty LD = mpif90 LDFLAGS = -static-intel LD_LIBS = # External Libraries (if any) : blas, lapack, fft, MPI # If you have nothing better, use the local copy : # BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a # BLAS_LIBS_SWITCH = internal BLAS_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core BLAS_LIBS_SWITCH = external # If you have nothing better, use the local copy : # LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a # LAPACK_LIBS_SWITCH = internal # For IBM machines with essl (-D__ESSL): load essl BEFORE lapack ! # remember that LAPACK_LIBS precedes BLAS_LIBS in loading order LAPACK_LIBS = LAPACK_LIBS_SWITCH = external ELPA_LIBS_SWITCH = disabled SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 # nothing needed here if the the internal copy of FFTW is compiled # (needs -D__FFTW in DFLAGS) FFT_LIBS = # For parallel execution, the correct path to MPI libraries must # be specified in MPI_LIBS (except for IBM if you use mpxlf) MPI_LIBS = # IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS MASS_LIBS = # ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv AR = ar ARFLAGS = ruv # ranlib command. If ranlib is not needed (it isn't in most cases) use # RANLIB = echo RANLIB = ranlib # all internal and external libraries - do not modify FLIB_TARGETS = all LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) # wget or curl - useful to download from network WGET = wget -O # topdir for linking espresso libs with plugins TOPDIR = /home/hitqx/espresso-5.0.2 |
3楼2013-03-08 20:35:53
mika
金虫 (正式写手)
纳米宝贝
- 应助: 6 (幼儿园)
- 金币: 992.4
- 散金: 76
- 帖子: 401
- 在线: 121小时
- 虫号: 836617
- 注册: 2009-08-29
- 性别: MM
- 专业: 凝聚态物性 II ：电子结构
4楼2013-03-08 20:37:19
niuli
金虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 1805.5
- 散金: 103
- 红花: 1
- 帖子: 219
- 在线: 121.6小时
- 虫号: 484506
- 注册: 2007-12-27
- 性别: MM
- 专业: 凝聚态物性 II ：电子结构
。 5楼2013-04-23 09:09:33
