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cos60

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[交流] [求助]VASP编译出错:make: *** [vasp] 错误 1

`dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x3bbfc): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3bd0b): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x3be54): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3bf7c): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x3c924): In function `dsyev_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3cc53): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x3ccaa): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3ceb9): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x3cf2c): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3d7f8): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3d8ac): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3d96c): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3d9f1): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3de7f): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3def2): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3e0b8): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e0f6): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e176): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3e1f0): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3e63d): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3e6a7): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3e897): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3e928): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3eaa1): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3eb6c): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3eda8): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3ee3e): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3f0ea): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3f168): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3f1f8): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3f24b): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4027e): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40363): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40420): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x405f5): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x406b5): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40772): more undefined references to `drot_' follow
../vasp.4.lib/lapack_double.o(.text+0x4b423): In function `dtgevc_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x4e218): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4e2b7): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4e410): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4e520): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4e62d): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4e73d): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4e8d4): In function `dgetf2_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x4e9d1): In function `dgetf2_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4ea8d): In function `dgetf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4ebe1): In function `dgetf2_':
: undefined reference to `dger_'
../vasp.4.lib/lapack_double.o(.text+0x518c9): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5192d): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x51990): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x51a8e): In function `zstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x51b27): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x51e0a): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x51eb4): In function `zstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x51ef9): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x51f6e): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x531fb): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5325c): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x532bc): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x533b4): In function `dstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x53444): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x535f6): In function `dstein_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x5369d): In function `dstein_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x536db): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x53782): In function `dstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x537c4): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x53836): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x54bfe): In function `zhegv_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x54ce0): In function `zhegv_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x552ab): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x553d4): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x556f5): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x5584a): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x55e70): In function `dsygv_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x55f52): In function `dsygv_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x5647e): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x565a3): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x568b8): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x56a05): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x597bf): In function `dgetrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5999a): In function `dgetrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x59c72): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x59d1d): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x59dc1): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x59e5e): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5a8a0): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x5a930): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x5ab9f): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5ac26): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5adc0): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5b294): In function `zheevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5b4b2): In function `zheevx_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x5be6a): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5befa): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5c159): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5c1e0): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5c36f): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5c847): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5ca65): In function `dsyevx_':
: undefined reference to `dswap_'
make: *** [vasp] 错误 1

这如何解决呢?谢谢高手指点

[ Last edited by zeoliters on 2009-6-13 at 17:04 ]

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1楼 2008-11-11 20:21:16

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jghe

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★ ★
fegg7502(金币+2,VIP+0):感谢交流 6-14 18:03

用的是什么编译器阿？要么就把你的makefile 贴出来看看

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2楼2008-11-11 20:34:30

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cos60

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intel ifort
intle mkl
intel mpi
都是最新的免费版

请问编译通过了，也生成了VASP文件，是不是就意味着安装成功了呢？

[ Last edited by cos60 on 2008-11-11 at 22:03 ]

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3楼2008-11-11 22:02:25

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shxincui518

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★
jghe(金币+1,VIP+0):谢谢你的参与讨论！

只要能生成vasp，应该编译成功了，建议测试下看看。

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4楼2008-11-11 22:49:10

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veryman

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jghe(金币+1,VIP+0):谢谢你参与讨论！

找一个简单的单原子体系如Al、Cu之类的测试一下
或者我是参照一些论文里面的比较简单的模型，大概几个原子，写POSCAR，POTCAR对应好，写个自动5*5*5左右的KPOINTS，INCAR稍微写一下，也可以用空文件，，用grep TOTEN OUTCAR看看总能，差别不是太大就可以了。

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5楼2008-11-12 13:11:21

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liluyan

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请问搂主你的问题是怎么解决的阿，我的也出现了同样的问题

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6楼2009-02-19 17:19:45

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