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intro987

铁杆木虫 (小有名气)

[求助] vasp编译求助 已有1人参与

租用的天河1号的资源，makefile根据小木虫的一个帖子改的，编译程序提示错误

fftw3d.F(88): error #5102: Cannot open include file 'fftw3.f'

我在opt/intel/Compiler/11.1/059/mkl目录下面没有找到fftw相关文件，然后从网上下载了一个，但是没有权限安装到/usr/local里面，就安装到我自己目录下面，然后把fftw3.f拷到vasp安装目录里面，然后make，不再提示Cannot open include file 'fftw3.f'，但是提示：

ifort: error #10236: File not found: '/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t'
make: *** [vasp] Error 1

请问这个是什么问题啊?我看了下，/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a这个文件是有的

求助高手帮忙看一下，谢谢！
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  • 附件 1 : Makefile
    • 2014-04-03 17:02:03, 16.52 K

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intro987

铁杆木虫 (小有名气)
刚刚试了一下，我的makefile里面
LIB  = -L../vasp.5.lib -ldmy \
     ../vasp.5.lib/linpack_double.o $(LAPACK) \
     $(SCA)$(BLAS)
有这么一段，$(SCA)$(BLAS)两个中间没有空格，然后我加了一个空格，不出现上面的错误信息了，反而是一大堆的这种信息：看不懂啊，求助大神啊
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igesd2d_.o): In function `igesd2d_':
_igesd2d_.c:(.text+0x40): undefined reference to `ompi_mpi_int'
_igesd2d_.c:(.text+0x99): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgesd2d_.o): In function `sgesd2d_':
_sgesd2d_.c:(.text+0x40): undefined reference to `ompi_mpi_float'
_sgesd2d_.c:(.text+0x99): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgesd2d_.o): In function `dsendrecv_':
_dgesd2d_.c:(.text+0x8e): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0xab): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0x101): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0x125): undefined reference to `ompi_mpi_double'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgesd2d_.o): In function `dgesd2d_':
_dgesd2d_.c:(.text+0x21a): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0x273): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgesd2d_.o): In function `cgesd2d_':
_cgesd2d_.c:(.text+0x99): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgesd2d_.o): In function `zgesd2d_':
_zgesd2d_.c:(.text+0x99): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igerv2d_.o): In function `igerv2d_':
_igerv2d_.c:(.text+0x3f): undefined reference to `ompi_mpi_int'
_igerv2d_.c:(.text+0x9d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgerv2d_.o): In function `sgerv2d_':
_sgerv2d_.c:(.text+0x3f): undefined reference to `ompi_mpi_float'
_sgerv2d_.c:(.text+0x9d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgerv2d_.o): In function `dgerv2d_':
_dgerv2d_.c:(.text+0x3f): undefined reference to `ompi_mpi_double'
_dgerv2d_.c:(.text+0x9d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgerv2d_.o): In function `cgerv2d_':
_cgerv2d_.c:(.text+0x9d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgerv2d_.o): In function `zgerv2d_':
_zgerv2d_.c:(.text+0x9d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igebs2d_.o): In function `igebs2d_':
_igebs2d_.c:(.text+0xc8): undefined reference to `ompi_mpi_int'
_igebs2d_.c:(.text+0x11f): undefined reference to `ompi_mpi_byte'
_igebs2d_.c:(.text+0x2a4): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgebs2d_.o): In function `sgebs2d_':
_sgebs2d_.c:(.text+0xc8): undefined reference to `ompi_mpi_float'
_sgebs2d_.c:(.text+0x11f): undefined reference to `ompi_mpi_byte'
_sgebs2d_.c:(.text+0x2a4): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgebs2d_.o): In function `dgebs2d_':
_dgebs2d_.c:(.text+0xc8): undefined reference to `ompi_mpi_double'
_dgebs2d_.c:(.text+0x11f): undefined reference to `ompi_mpi_byte'
_dgebs2d_.c:(.text+0x2a4): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgebs2d_.o): In function `cgebs2d_':
_cgebs2d_.c:(.text+0x11f): undefined reference to `ompi_mpi_byte'
_cgebs2d_.c:(.text+0x2a4): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebs2d_.o): In function `zgebs2d_':
_zgebs2d_.c:(.text+0x11f): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebs2d_.o):_zgebs2d_.c:(.text+0x2a4): more undefined references to `ompi_mpi_byte' follow
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igebr2d_.o): In function `igebr2d_':
_igebr2d_.c:(.text+0x100): undefined reference to `ompi_mpi_int'
_igebr2d_.c:(.text+0x158): undefined reference to `ompi_mpi_byte'
_igebr2d_.c:(.text+0x300): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgebr2d_.o): In function `sgebr2d_':
_sgebr2d_.c:(.text+0x100): undefined reference to `ompi_mpi_float'
_sgebr2d_.c:(.text+0x158): undefined reference to `ompi_mpi_byte'
_sgebr2d_.c:(.text+0x300): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgebr2d_.o): In function `dgebr2d_':
_dgebr2d_.c:(.text+0x100): undefined reference to `ompi_mpi_double'
_dgebr2d_.c:(.text+0x158): undefined reference to `ompi_mpi_byte'
_dgebr2d_.c:(.text+0x300): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgebr2d_.o): In function `cgebr2d_':
_cgebr2d_.c:(.text+0x158): undefined reference to `ompi_mpi_byte'
_cgebr2d_.c:(.text+0x300): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebr2d_.o): In function `zgebr2d_':
_zgebr2d_.c:(.text+0x158): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebr2d_.o):_zgebr2d_.c:(.text+0x300): more undefined references to `ompi_mpi_byte' follow
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igsum2d_.o): In function `igsum2d_':
_igsum2d_.c:(.text+0x1a2): undefined reference to `ompi_mpi_int'
_igsum2d_.c:(.text+0x3db): undefined reference to `ompi_mpi_op_sum'
_igsum2d_.c:(.text+0x4d5): undefined reference to `ompi_mpi_op_sum'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgsum2d_.o): In function `sgsum2d_':
_sgsum2d_.c:(.text+0x1a2): undefined reference to `ompi_mpi_float'
_sgsum2d_.c:(.text+0x3db): undefined reference to `ompi_mpi_op_sum'
_sgsum2d_.c:(.text+0x4d5): undefined reference to `ompi_mpi_op_sum'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgsum2d_.o): In function `dgsum2d_':
_dgsum2d_.c:(.text+0x1a2): undefined reference to `ompi_mpi_double'
_dgsum2d_.c:(.text+0x3db): undefined reference to `ompi_mpi_op_sum'
_dgsum2d_.c:(.text+0x4d5): undefined reference to `ompi_mpi_op_sum'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igamx2d_.o): In function `igamx2d_':
_igamx2d_.c:(.text+0x352): undefined reference to `ompi_mpi_int'
_igamx2d_.c:(.text+0x362): undefined reference to `ompi_mpi_unsigned_short'
_igamx2d_.c:(.text+0x3c0): undefined reference to `ompi_mpi_int'
_igamx2d_.c:(.text+0x577): undefined reference to `ompi_mpi_byte'
_igamx2d_.c:(.text+0x7ae): undefined reference to `ompi_mpi_byte'
_igamx2d_.c:(.text+0x993): undefined reference to `ompi_mpi_int'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgamx2d_.o): In function `sgamx2d_':
_sgamx2d_.c:(.text+0x352): undefined reference to `ompi_mpi_float'
_sgamx2d_.c:(.text+0x362): undefined reference to `ompi_mpi_unsigned_short'
_sgamx2d_.c:(.text+0x3c0): undefined reference to `ompi_mpi_int'
_sgamx2d_.c:(.text+0x577): undefined reference to `ompi_mpi_byte'
_sgamx2d_.c:(.text+0x7ae): undefined reference to `ompi_mpi_byte'
_sgamx2d_.c:(.text+0x993): undefined reference to `ompi_mpi_float'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgamx2d_.o): In function `dgamx2d_':
_dgamx2d_.c:(.text+0x352): undefined reference to `ompi_mpi_double'
_dgamx2d_.c:(.text+0x362): undefined reference to `ompi_mpi_unsigned_short'
_dgamx2d_.c:(.text+0x3c0): undefined reference to `ompi_mpi_int'
_dgamx2d_.c:(.text+0x577): undefined reference to `ompi_mpi_byte'
_dgamx2d_.c:(.text+0x7ae): undefined reference to `ompi_mpi_byte'
_dgamx2d_.c:(.text+0x993): undefined reference to `ompi_mpi_double'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igamn2d_.o): In function `igamn2d_':
_igamn2d_.c:(.text+0x352): undefined reference to `ompi_mpi_int'
_igamn2d_.c:(.text+0x362): undefined reference to `ompi_mpi_unsigned_short'
_igamn2d_.c:(.text+0x3c0): undefined reference to `ompi_mpi_int'
_igamn2d_.c:(.text+0x577): undefined reference to `ompi_mpi_byte'
_igamn2d_.c:(.text+0x7ae): undefined reference to `ompi_mpi_byte'
_igamn2d_.c:(.text+0x993): undefined reference to `ompi_mpi_int'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgamn2d_.o): In function `sgamn2d_':
_sgamn2d_.c:(.text+0x352): undefined reference to `ompi_mpi_float'
_sgamn2d_.c:(.text+0x362): undefined reference to `ompi_mpi_unsigned_short'
_sgamn2d_.c:(.text+0x3c0): undefined reference to `ompi_mpi_int'
_sgamn2d_.c:(.text+0x577): undefined reference to `ompi_mpi_byte'
_sgamn2d_.c:(.text+0x7ae): undefined reference to `ompi_mpi_byte'
_sgamn2d_.c:(.text+0x993): undefined reference to `ompi_mpi_float'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgamn2d_.o): In function `dgamn2d_':
_dgamn2d_.c:(.text+0x352): undefined reference to `ompi_mpi_double'
_dgamn2d_.c:(.text+0x362): undefined reference to `ompi_mpi_unsigned_short'
_dgamn2d_.c:(.text+0x3c0): undefined reference to `ompi_mpi_int'
_dgamn2d_.c:(.text+0x577): undefined reference to `ompi_mpi_byte'
_dgamn2d_.c:(.text+0x7ae): undefined reference to `ompi_mpi_byte'
_dgamn2d_.c:(.text+0x993): undefined reference to `ompi_mpi_double'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_gridmap_.o): In function `blacs_gridmap__':
_blacs_gridmap_.c:(.text+0xf8): undefined reference to `ompi_mpi_float'
_blacs_gridmap_.c:(.text+0x158): undefined reference to `ompi_mpi_double'
_blacs_gridmap_.c:(.text+0x324): undefined reference to `ompi_mpi_comm_null'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_pinfo_.o): In function `blacs_pinfo__':
_blacs_pinfo_.c:(.text+0x97): undefined reference to `ompi_mpi_comm_world'
_blacs_pinfo_.c:(.text+0xba): undefined reference to `ompi_mpi_comm_world'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_get_.o): In function `blacs_get__':
_blacs_get_.c:(.text+0x17c): undefined reference to `ompi_mpi_comm_world'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_exit_.o): In function `blacs_exit__':
_blacs_exit_.c:(.text+0x122): undefined reference to `ompi_mpi_byte'
_blacs_exit_.c:(.text+0x150): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igesd2d_.oo): In function `Cigesd2d':
_igesd2d_.c:(.text+0x39): undefined reference to `ompi_mpi_int'
_igesd2d_.c:(.text+0x94): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgesd2d_.oo): In function `Csgesd2d':
_sgesd2d_.c:(.text+0x39): undefined reference to `ompi_mpi_float'
_sgesd2d_.c:(.text+0x94): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgesd2d_.oo): In function `Cdsendrecv':
_dgesd2d_.c:(.text+0x83): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0x9f): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0xe8): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0x117): undefined reference to `ompi_mpi_double'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgesd2d_.oo): In function `Cdgesd2d':
_dgesd2d_.c:(.text+0x1ff): undefined reference to `ompi_mpi_double'
_dgesd2d_.c:(.text+0x25a): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgesd2d_.oo): In function `Ccgesd2d':
_cgesd2d_.c:(.text+0x94): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgesd2d_.oo): In function `Czgesd2d':
_zgesd2d_.c:(.text+0x94): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igerv2d_.oo): In function `Cigerv2d':
_igerv2d_.c:(.text+0x3a): undefined reference to `ompi_mpi_int'
_igerv2d_.c:(.text+0x9a): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgerv2d_.oo): In function `Csgerv2d':
_sgerv2d_.c:(.text+0x3a): undefined reference to `ompi_mpi_float'
_sgerv2d_.c:(.text+0x9a): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgerv2d_.oo): In function `Cdgerv2d':
_dgerv2d_.c:(.text+0x3a): undefined reference to `ompi_mpi_double'
_dgerv2d_.c:(.text+0x9a): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgerv2d_.oo): In function `Ccgerv2d':
_cgerv2d_.c:(.text+0x99): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgerv2d_.oo): In function `Czgerv2d':
_zgerv2d_.c:(.text+0x99): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgebs2d_.oo): In function `Csgebs2d':
_sgebs2d_.c:(.text+0xbc): undefined reference to `ompi_mpi_float'
_sgebs2d_.c:(.text+0x118): undefined reference to `ompi_mpi_byte'
_sgebs2d_.c:(.text+0x29d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgebs2d_.oo): In function `Cdgebs2d':
_dgebs2d_.c:(.text+0xbc): undefined reference to `ompi_mpi_double'
_dgebs2d_.c:(.text+0x118): undefined reference to `ompi_mpi_byte'
_dgebs2d_.c:(.text+0x29d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgebs2d_.oo): In function `Ccgebs2d':
_cgebs2d_.c:(.text+0x118): undefined reference to `ompi_mpi_byte'
_cgebs2d_.c:(.text+0x29d): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebs2d_.oo): In function `Czgebs2d':
_zgebs2d_.c:(.text+0x118): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebs2d_.oo):_zgebs2d_.c:(.text+0x29d): more undefined references to `ompi_mpi_byte' follow
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sgebr2d_.oo): In function `Csgebr2d':
_sgebr2d_.c:(.text+0xe1): undefined reference to `ompi_mpi_float'
_sgebr2d_.c:(.text+0x13c): undefined reference to `ompi_mpi_byte'
_sgebr2d_.c:(.text+0x2e2): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(dgebr2d_.oo): In function `Cdgebr2d':
_dgebr2d_.c:(.text+0xe1): undefined reference to `ompi_mpi_double'
_dgebr2d_.c:(.text+0x13c): undefined reference to `ompi_mpi_byte'
_dgebr2d_.c:(.text+0x2e2): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(cgebr2d_.oo): In function `Ccgebr2d':
_cgebr2d_.c:(.text+0x13c): undefined reference to `ompi_mpi_byte'
_cgebr2d_.c:(.text+0x2e2): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebr2d_.oo): In function `Czgebr2d':
_zgebr2d_.c:(.text+0x13c): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(zgebr2d_.oo):_zgebr2d_.c:(.text+0x2e2): more undefined references to `ompi_mpi_byte' follow
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(igamn2d_.oo): In function `Cigamn2d':
_igamn2d_.c:(.text+0x31c): undefined reference to `ompi_mpi_int'
_igamn2d_.c:(.text+0x32c): undefined reference to `ompi_mpi_unsigned_short'
_igamn2d_.c:(.text+0x38a): undefined reference to `ompi_mpi_int'
_igamn2d_.c:(.text+0x53a): undefined reference to `ompi_mpi_byte'
_igamn2d_.c:(.text+0x752): undefined reference to `ompi_mpi_byte'
_igamn2d_.c:(.text+0x92a): undefined reference to `ompi_mpi_int'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_gridmap_.oo): In function `Cblacs_gridmap':
_blacs_gridmap_.c:(.text+0xf9): undefined reference to `ompi_mpi_float'
_blacs_gridmap_.c:(.text+0x153): undefined reference to `ompi_mpi_double'
_blacs_gridmap_.c:(.text+0x3ad): undefined reference to `ompi_mpi_comm_null'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs2sys_handle_.oo): In function `Cblacs2sys_handle':
_blacs2sys_handle_.c:(.text+0x46): undefined reference to `ompi_mpi_comm_null'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_pinfo_.oo): In function `Cblacs_pinfo':
_blacs_pinfo_.c:(.text+0x97): undefined reference to `ompi_mpi_comm_world'
_blacs_pinfo_.c:(.text+0xba): undefined reference to `ompi_mpi_comm_world'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_get_.oo): In function `Cblacs_get':
_blacs_get_.c:(.text+0x16a): undefined reference to `ompi_mpi_comm_world'
_blacs_get_.c:(.text+0x1b1): undefined reference to `ompi_mpi_comm_world'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): In function `MKL_Type_f2c':
_blacs_extended.c:(.text+0x22b): undefined reference to `ompi_mpi_byte'
_blacs_extended.c:(.text+0x23a): undefined reference to `ompi_mpi_double'
_blacs_extended.c:(.text+0x249): undefined reference to `ompi_mpi_double_int'
_blacs_extended.c:(.text+0x258): undefined reference to `ompi_mpi_dblprec'
_blacs_extended.c:(.text+0x267): undefined reference to `ompi_mpi_int'
_blacs_extended.c:(.text+0x274): undefined reference to `MPI_Type_f2c'
_blacs_extended.c:(.text+0x27d): undefined reference to `ompi_mpi_float'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): In function `MKL_Type_c2f':
_blacs_extended.c:(.text+0x370): undefined reference to `MPI_Type_c2f'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): In function `MKL_Op_f2c':
_blacs_extended.c:(.text+0x4ad): undefined reference to `ompi_mpi_op_maxloc'
_blacs_extended.c:(.text+0x4ba): undefined reference to `MPI_Op_f2c'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): In function `MKL_Comm_c2f':
_blacs_extended.c:(.text+0x500): undefined reference to `MPI_Comm_c2f'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): In function `MKL_Comm_f2c':
_blacs_extended.c:(.text+0x589): undefined reference to `ompi_mpi_comm_null'
_blacs_extended.c:(.text+0x59d): undefined reference to `ompi_mpi_comm_world'
_blacs_extended.c:(.text+0x5aa): undefined reference to `MPI_Comm_f2c'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): In function `MKL_Op_c2f':
_blacs_extended.c:(.text+0x6c6): undefined reference to `MPI_Op_c2f'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(blacs_extended.o):(.data+0x0): undefined reference to `ompi_request_null'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(BI_BlacsAbort.o): In function `BI_BlacsAbort':
_BI_BlacsAbort.c:(.text+0x2c): undefined reference to `ompi_mpi_comm_world'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(BI_Pack.o): In function `BI_Pack':
_BI_Pack.c:(.text+0x1a): undefined reference to `ompi_mpi_byte'
_BI_Pack.c:(.text+0x67): undefined reference to `ompi_mpi_packed'
_BI_Pack.c:(.text+0x121): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(BI_GetMpiGeType.o): In function `BI_GetMpiGeType':
_BI_GetMpiGeType.c:(.text+0x39): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(BI_GetMpiTrType.o): In function `BI_GetMpiTrType':
_BI_GetMpiTrType.c:(.text+0x9c): undefined reference to `ompi_mpi_byte'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/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/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a(sys2blacs_handle_.oo): In function `Csys2blacs_handle':
_sys2blacs_handle_.c:(.text+0x25): undefined reference to `ompi_mpi_comm_null'
_sys2blacs_handle_.c:(.text+0x9f): undefined reference to `ompi_mpi_comm_null'
_sys2blacs_handle_.c:(.text+0xc9): undefined reference to `ompi_mpi_comm_world'
_sys2blacs_handle_.c:(.text+0x17d): undefined reference to `ompi_mpi_comm_null'
_sys2blacs_handle_.c:(.text+0x1cb): undefined reference to `ompi_mpi_comm_world'
/opt/intel/Compiler/11.1/059/mkl/lib/em64t/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: *** [vasp] Error 1
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6楼2014-04-03 21:08:10
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chuanghua304

禁虫 (职业作家)
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
intro987: 金币+15, ★★★★★最佳答案, 对我遇到的问题没有解决，不过最后自己搞定了，也谢谢你！ 2014-04-03 21:31:54
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2楼2014-04-03 17:21:41
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chuanghua304

禁虫 (职业作家)
本帖内容被屏蔽
3楼2014-04-03 17:22:44
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intro987

铁杆木虫 (小有名气)
我把详细出错信息贴一下吧，之前也有一个错误，是fftw3.f找不到，我按小木虫一个帖子的办法，自己安装了fftw3.3.4，然后把fftw3.f拷到vasp目录下面了，然后接着make的，不知道这样是否正确
[xingbin@ln1%tianhe vasp.5.3]$ make
rm -f vasp
mpif90  -o vasp main.o  base.o     mpi.o      smart_allocate.o      xml.o constant.o jacobi.o   main_mpi.o  scala.o asa.o      lattice.o  poscar.o   ini.o  mgrid.o  xclib.o  vdw_nl.o  xclib_grad.o radial.o   pseudo.o   gridq.o     ebs.o mkpoints.o wave.o     wave_mpi.o  wave_high.o  spinsym.o symmetry.o symlib.o   lattlib.o  random.o      nonl.o     nonlr.o    nonl_high.o dfast.o    choleski2.o mix.o      hamil.o    xcgrad.o   xcspin.o    potex1.o   potex2.o constrmag.o cl_shift.o relativistic.o LDApU.o paw_base.o metagga.o  egrad.o    pawsym.o   pawfock.o  pawlhf.o   rhfatm.o  hyperfine.o paw.o mkpoints_full.o       charge.o   Lebedev-Laikov.o  stockholder.o dipol.o    pot.o dos.o      elf.o      tet.o      tetweight.o hamil_rot.o chain.o    dyna.o     k-proj.o    sphpro.o    us.o  core_rel.o aedens.o   wavpre.o   wavpre_noio.o broyden.o dynbr.o    hamil_high.o  rmm-diis.o reader.o   writer.o   tutor.o xml_writer.o brent.o    stufak.o   fileio.o   opergrid.o stepver.o chgloc.o   fast_aug.o fock_multipole.o  fock.o  mkpoints_change.o sym_grad.o mymath.o   internals.o npt_dynamics.o   dynconstr.o dimer_heyden.o dvvtrajectory.o subdftd3.o vdwforcefield.o nmr.o      pead.o     subrot.o   subrot_scf.o  paircorrection.o force.o    pwlhf.o    gw_model.o optreal.o  steep.o    davidson.o  david_inner.o electron.o rot.o  electron_all.o shm.o    pardens.o optics.o   constr_cell_relax.o   stm.o    finite_diff.o elpol.o hamil_lr.o rmm-diis_lr.o  subrot_cluster.o subrot_lr.o lr_helper.o hamil_lrf.o   elinear_response.o ilinear_response.o linear_optics.o setlocalpp.o  wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o gauss_quad.o m_unirnk.o minimax_tabs.o minimax.o mlwf.o     ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o ump2.o ump2kpar.o fcidump.o ump2no.o bse_te.o bse.o acfdt.o chi.o sydmat.o lcao_bare.o wnpr.o dmft.o rmm-diis_mlr.o  linear_response_NMR.o wannier_interpol.o linear_response.o  auger.o getshmem.o dmatrix.o   fftmpi.o fftmpi_map.o fftw3d.o fft3dlib.o /opt/intel/Compiler/11.1/059/mkl/lib/em64t/libfftw2xf_intel.a  -L../vasp.5.lib -ldmy ../vasp.5.lib/linpack_double.o -L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread /opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_scalapack_lp64.a  /opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
ifort: error #10236: File not found:  '/opt/intel/Compiler/11.1/059/mkl/lib/em64t/libmkl_blacs_openmpi_lp64.a-L/opt/intel/Compiler/11.1/059/mkl/lib/em64t'
make: *** [vasp] Error 1
另外我看了，在'/opt/intel/Compiler/11.1/059/mkl/lib/em64t下，是有/libmkl_blacs_openmpi_lp64.a这个文件的vasp编译求助
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4楼2014-04-03 20:51:56
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