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erghper銅蟲 (小有名氣)
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[交流]
【求助成功】求ubuntu中vasp程序安裝最后一步出錯!郁悶。! 已有5人參與
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我在安轉(zhuǎn)vasp時,最后一步vasp.5.2的makefile.linux_ifc_p4文件出錯,改了很多次,沒辦法,想找找論壇上的高手幫幫忙!。! /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Comm_group' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Group_incl' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Wtime' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Group_free' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Rsend' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `mkl_serv_deallocate' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Testall' /opt/intel/mkl/lib/ia32/libmkl_blacs_intelmpi.so: undefined reference to `MPI_Type_struct' make: *** [vasp] 錯誤 1 usr:~$ 我的/opt/intel/mkl/lib/ia32下文件內(nèi)容是 usr:/opt/intel/mkl/lib/ia32$ ls libmkl_avx.so libmkl_cdft_core.a libmkl_gf.so libmkl_intel_thread.so libmkl_pgi_thread.a libmkl_sequential.so libmkl_vml_p4m2.so libmkl_blacs.a libmkl_cdft_core.so libmkl_gnu_thread.a libmkl_lapack95.a libmkl_pgi_thread.so libmkl_solver.a libmkl_vml_p4m3.so libmkl_blacs_intelmpi.a libmkl_core.a libmkl_gnu_thread.so libmkl_p4m3.so libmkl_rt.so libmkl_solver_sequential.a libmkl_vml_p4m.so libmkl_blacs_intelmpi.so libmkl_core.so libmkl_intel.a libmkl_p4m.so libmkl_scalapack_core.a libmkl_vml_avx.so libmkl_vml_p4p.so libmkl_blacs_openmpi.a libmkl_def.so libmkl_intel.so libmkl_p4p.so libmkl_scalapack_core.so libmkl_vml_def.so libmkl_vml_p4.so libmkl_blas95.a libmkl_gf.a libmkl_intel_thread.a libmkl_p4.so libmkl_sequential.a libmkl_vml_ia.so locale usr:/opt/intel/mkl/lib/ia32$ [ Last edited by erghper on 2010-11-24 at 08:03 ] |

銅蟲 (小有名氣)
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注 :我的makefile.linux_ifc_p4文件類容如下; 。。。。。 107 # ifc.9.1, ifc.10.1 recommended 108 OFLAG=-O3 109 110 OFLAG_HIGH = $(OFLAG) 111 OBJ_HIGH = 112 OBJ_NOOPT = 113 DEBUG = -FR -O0 114 INLINE = $(OFLAG) 115 116 #----------------------------------------------------------------------- 117 # the following lines specify the position of BLAS and LAPACK 118 # VASP works fastest with the libgoto library 119 # so that's what we recommend 120 #----------------------------------------------------------------------- 121 122 # mkl.10.0 123 # set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines 124 #BLAS=-L/opt/intel/mkl100/lib/em64t -lmkl -lpthread 125 126 # even faster for VASP Kazushige Goto's BLAS 127 # http://www.cs.utexas.edu/users/kgoto/signup_first.html 128 # parallel goto version requires sometimes -libverbs 129 #BLAS= /opt/intel/libgoto/libgoto.so 130 BLAS= /opt/intel/mkl/lib/ia32 -lmkl_intel -lgnu -lpthread 131 # LAPACK, simplest use vasp.5.lib/lapack_double 132 LAPACK= ../vasp.5.lib/lapack_double.o 133 134 # use the mkl Intel lapack 135 #LAPACK= -lmkl_lapack 136 137 #----------------------------------------------------------------------- 138 139 LIB = -L../vasp.5.lib -ldmy \ 140 ../vasp.5.lib/linpack_double.o $(LAPACK) \ 141 $(BLAS) 142 143 # options for linking, nothing is required (usually) 144 LINK = 145 146 #----------------------------------------------------------------------- 147 # fft libraries: 。。。。。。。。。。。。。。 [ Last edited by erghper on 2010-11-18 at 21:45 ] |
銅蟲 (小有名氣)

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