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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » Vasp&MedeA » 编译vasp5.2时出错，清大家看看什么原因
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ddr6021023

至尊木虫 (著名写手)

[求助] 编译vasp5.2时出错，清大家看看什么原因

编译vasp5。2的时候出错的，出错提示是
lapack_double.f:(.text+0x54ec): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x561f): undefined reference to `zgemm_'
lapack_double.f:(.text+0x56c8): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x59ca): undefined reference to `zcopy_'
lapack_double.f:(.text+0x5b07): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x5bda): undefined reference to `zgemm_'
lapack_double.f:(.text+0x5c83): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x5d56): undefined reference to `zgemm_'
lapack_double.f:(.text+0x5e3b): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x6176): undefined reference to `zcopy_'
lapack_double.f:(.text+0x6271): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x6346): undefined reference to `zgemm_'
lapack_double.f:(.text+0x63ee): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x64c1): undefined reference to `zgemm_'
lapack_double.f:(.text+0x65a6): undefined reference to `ztrmm_'
../vasp.5.lib/lapack_double.o: In function `zung2r_':
lapack_double.f:(.text+0x6d43): undefined reference to `zscal_'
../vasp.5.lib/lapack_double.o: In function `dlarfg_':
lapack_double.f:(.text+0x6f28): undefined reference to `dnrm2_'
lapack_double.f:(.text+0x703c): undefined reference to `dscal_'
lapack_double.f:(.text+0x7093): undefined reference to `dnrm2_'
lapack_double.f:(.text+0x716a): undefined reference to `dscal_'
lapack_double.f:(.text+0x721f): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dorg2l_':
lapack_double.f:(.text+0x75c5): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dlarft_':
lapack_double.f:(.text+0x79c7): undefined reference to `dgemv_'
lapack_double.f:(.text+0x7b21): undefined reference to `dgemv_'
lapack_double.f:(.text+0x7c08): undefined reference to `dtrmv_'
lapack_double.f:(.text+0x7f34): undefined reference to `dgemv_'
lapack_double.f:(.text+0x817f): undefined reference to `dgemv_'
lapack_double.f:(.text+0x82cb): undefined reference to `dtrmv_'
../vasp.5.lib/lapack_double.o: In function `dlarfb_':
lapack_double.f:(.text+0x8517): undefined reference to `dcopy_'
lapack_double.f:(.text+0x85d6): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x870d): undefined reference to `dgemm_'
lapack_double.f:(.text+0x87b6): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x88ed): undefined reference to `dgemm_'
lapack_double.f:(.text+0x8996): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x8b97): undefined reference to `dcopy_'
lapack_double.f:(.text+0x8c56): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x8d8a): undefined reference to `dgemm_'
lapack_double.f:(.text+0x8e32): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x8f68): undefined reference to `dgemm_'
lapack_double.f:(.text+0x9011): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x922c): undefined reference to `dcopy_'
lapack_double.f:(.text+0x9328): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x93fd): undefined reference to `dgemm_'
lapack_double.f:(.text+0x94a6): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x957b): undefined reference to `dgemm_'
lapack_double.f:(.text+0x9661): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x9883): undefined reference to `dcopy_'
lapack_double.f:(.text+0x997f): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x9a52): undefined reference to `dgemm_'
lapack_double.f:(.text+0x9afa): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x9bcf): undefined reference to `dgemm_'
lapack_double.f:(.text+0x9cb5): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x9f36): undefined reference to `dcopy_'
lapack_double.f:(.text+0x9ff5): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xa129): undefined reference to `dgemm_'
lapack_double.f:(.text+0xa1d2): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xa306): undefined reference to `dgemm_'
lapack_double.f:(.text+0xa3af): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xa5bf): undefined reference to `dcopy_'
lapack_double.f:(.text+0xa67e): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xa7b3): undefined reference to `dgemm_'
lapack_double.f:(.text+0xa85b): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xa98e): undefined reference to `dgemm_'
lapack_double.f:(.text+0xaa37): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xac52): undefined reference to `dcopy_'
lapack_double.f:(.text+0xad4d): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xae20): undefined reference to `dgemm_'
lapack_double.f:(.text+0xaec9): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xaf9c): undefined reference to `dgemm_'
lapack_double.f:(.text+0xb081): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xb2bb): undefined reference to `dcopy_'
lapack_double.f:(.text+0xb3b6): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xb48b): undefined reference to `dgemm_'
lapack_double.f:(.text+0xb533): undefined reference to `dtrmm_'
lapack_double.f:(.text+0xb606): undefined reference to `dgemm_'
lapack_double.f:(.text+0xb6eb): undefined reference to `dtrmm_'
../vasp.5.lib/lapack_double.o: In function `dorg2r_':
lapack_double.f:(.text+0xbc0b): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `zlatrd_':
lapack_double.f:(.text+0xc00e): undefined reference to `zgemv_'
lapack_double.f:(.text+0xc20e): undefined reference to `zgemv_'
lapack_double.f:(.text+0xc60b): undefined reference to `zhemv_'
lapack_double.f:(.text+0xc75a): undefined reference to `zgemv_'
lapack_double.f:(.text+0xc898): undefined reference to `zgemv_'
lapack_double.f:(.text+0xc9d6): undefined reference to `zgemv_'
lapack_double.f:(.text+0xcb14): undefined reference to `zgemv_'
lapack_double.f:(.text+0xcb7f): undefined reference to `zscal_'
lapack_double.f:(.text+0xcc2a): undefined reference to `zdotc_'
lapack_double.f:(.text+0xcd89): undefined reference to `zaxpy_'
lapack_double.f:(.text+0xd015): undefined reference to `zgemv_'
lapack_double.f:(.text+0xd1e4): undefined reference to `zgemv_'
lapack_double.f:(.text+0xd652): undefined reference to `zhemv_'
lapack_double.f:(.text+0xd795): undefined reference to `zgemv_'
lapack_double.f:(.text+0xd8d8): undefined reference to `zgemv_'
lapack_double.f:(.text+0xda1b): undefined reference to `zgemv_'
lapack_double.f:(.text+0xdb5e): undefined reference to `zgemv_'
lapack_double.f:(.text+0xdbe1): undefined reference to `zscal_'
lapack_double.f:(.text+0xdcb7): undefined reference to `zdotc_'
lapack_double.f:(.text+0xde3d): undefined reference to `zaxpy_'
../vasp.5.lib/lapack_double.o: In function `zhetd2_':
lapack_double.f:(.text+0xe31c): undefined reference to `zhemv_'
lapack_double.f:(.text+0xe39b): undefined reference to `zdotc_'
lapack_double.f:(.text+0xe493): undefined reference to `zaxpy_'
lapack_double.f:(.text+0xe534): undefined reference to `zher2_'
lapack_double.f:(.text+0xeb67): undefined reference to `zhemv_'
lapack_double.f:(.text+0xec12): undefined reference to `zdotc_'
lapack_double.f:(.text+0xed39): undefined reference to `zaxpy_'
lapack_double.f:(.text+0xee46): undefined reference to `zher2_'
../vasp.5.lib/lapack_double.o: In function `dlatrd_':
lapack_double.f:(.text+0x1833e): undefined reference to `dgemv_'
lapack_double.f:(.text+0x1846e): undefined reference to `dgemv_'
lapack_double.f:(.text+0x18694): undefined reference to `dsymv_'
lapack_double.f:(.text+0x187df): undefined reference to `dgemv_'
lapack_double.f:(.text+0x18919): undefined reference to `dgemv_'
lapack_double.f:(.text+0x18a53): undefined reference to `dgemv_'
lapack_double.f:(.text+0x18b8d): undefined reference to `dgemv_'
lapack_double.f:(.text+0x18bf4): undefined reference to `dscal_'
lapack_double.f:(.text+0x18c87): undefined reference to `ddot_'
lapack_double.f:(.text+0x18d62): undefined reference to `daxpy_'
lapack_double.f:(.text+0x18ebc): undefined reference to `dgemv_'
lapack_double.f:(.text+0x18fe3): undefined reference to `dgemv_'
lapack_double.f:(.text+0x19282): undefined reference to `dsymv_'
lapack_double.f:(.text+0x193bd): undefined reference to `dgemv_'
lapack_double.f:(.text+0x194f8): undefined reference to `dgemv_'
lapack_double.f:(.text+0x19633): undefined reference to `dgemv_'
lapack_double.f:(.text+0x1976e): undefined reference to `dgemv_'
lapack_double.f:(.text+0x197e9): undefined reference to `dscal_'
lapack_double.f:(.text+0x1989f): undefined reference to `ddot_'
lapack_double.f:(.text+0x1999b): undefined reference to `daxpy_'
../vasp.5.lib/lapack_double.o: In function `dsytd2_':
lapack_double.f:(.text+0x19cc2): undefined reference to `dsymv_'
lapack_double.f:(.text+0x19d29): undefined reference to `ddot_'
lapack_double.f:(.text+0x19dc4): undefined reference to `daxpy_'
lapack_double.f:(.text+0x19e65): undefined reference to `dsyr2_'
lapack_double.f:(.text+0x1a1b7): undefined reference to `dsymv_'
lapack_double.f:(.text+0x1a248): undefined reference to `ddot_'
lapack_double.f:(.text+0x1a310): undefined reference to `daxpy_'
lapack_double.f:(.text+0x1a411): undefined reference to `dsyr2_'
../vasp.5.lib/lapack_double.o: In function `zpotf2_':
lapack_double.f:(.text+0x1ef3a): undefined reference to `zdotc_'
lapack_double.f:(.text+0x1f29f): undefined reference to `zgemv_'
lapack_double.f:(.text+0x1f372): undefined reference to `zdscal_'
lapack_double.f:(.text+0x1f447): undefined reference to `zdotc_'
lapack_double.f:(.text+0x1f7bd): undefined reference to `zgemv_'
lapack_double.f:(.text+0x1f898): undefined reference to `zdscal_'
../vasp.5.lib/lapack_double.o: In function `zhegs2_':
lapack_double.f:(.text+0x1fc1e): undefined reference to `zdscal_'
lapack_double.f:(.text+0x1fdf8): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x1ff33): undefined reference to `zher2_'
lapack_double.f:(.text+0x2000b): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x2017b): undefined reference to `ztrsv_'
lapack_double.f:(.text+0x203e2): undefined reference to `zdscal_'
lapack_double.f:(.text+0x204f2): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x2062f): undefined reference to `zher2_'
lapack_double.f:(.text+0x20709): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x20815): undefined reference to `ztrsv_'
lapack_double.f:(.text+0x20992): undefined reference to `ztrmv_'
lapack_double.f:(.text+0x20a79): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x20b4d): undefined reference to `zher2_'
lapack_double.f:(.text+0x20bfc): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x20c55): undefined reference to `zdscal_'
lapack_double.f:(.text+0x20ebc): undefined reference to `ztrmv_'
lapack_double.f:(.text+0x20ff6): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x210cd): undefined reference to `zher2_'
lapack_double.f:(.text+0x21181): undefined reference to `zaxpy_'
lapack_double.f:(.text+0x21229): undefined reference to `zdscal_'
../vasp.5.lib/lapack_double.o: In function `zhetrd_':
lapack_double.f:(.text+0x22e1e): undefined reference to `zher2k_'
lapack_double.f:(.text+0x232c6): undefined reference to `zher2k_'
../vasp.5.lib/lapack_double.o: In function `zsteqr_':
lapack_double.f:(.text+0x27198): undefined reference to `zswap_'
../vasp.5.lib/lapack_double.o: In function `dpotf2_':
lapack_double.f:(.text+0x2b4d4): undefined reference to `ddot_'
lapack_double.f:(.text+0x2b722): undefined reference to `dgemv_'
lapack_double.f:(.text+0x2b7a4): undefined reference to `dscal_'
lapack_double.f:(.text+0x2b85f): undefined reference to `ddot_'
lapack_double.f:(.text+0x2baaf): undefined reference to `dgemv_'
lapack_double.f:(.text+0x2bb32): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dsygs2_':
lapack_double.f:(.text+0x2be4e): undefined reference to `dscal_'
lapack_double.f:(.text+0x2bf30): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2c05f): undefined reference to `dsyr2_'
lapack_double.f:(.text+0x2c12f): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2c231): undefined reference to `dtrsv_'
lapack_double.f:(.text+0x2c3c8): undefined reference to `dscal_'
lapack_double.f:(.text+0x2c4ac): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2c5dd): undefined reference to `dsyr2_'
lapack_double.f:(.text+0x2c6af): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2c7b3): undefined reference to `dtrsv_'
lapack_double.f:(.text+0x2c928): undefined reference to `dtrmv_'
lapack_double.f:(.text+0x2c9eb): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2cabf): undefined reference to `dsyr2_'
lapack_double.f:(.text+0x2cb6e): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2cbc1): undefined reference to `dscal_'
lapack_double.f:(.text+0x2cd6a): undefined reference to `dtrmv_'
lapack_double.f:(.text+0x2ce2a): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2cef9): undefined reference to `dsyr2_'
lapack_double.f:(.text+0x2cfa5): undefined reference to `daxpy_'
lapack_double.f:(.text+0x2cffb): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dsytrd_':
lapack_double.f:(.text+0x2d6c2): undefined reference to `dsyr2k_'
lapack_double.f:(.text+0x2daec): undefined reference to `dsyr2k_'
../vasp.5.lib/lapack_double.o: In function `dsteqr_':
lapack_double.f:(.text+0x30285): undefined reference to `dswap_'
../vasp.5.lib/lapack_double.o: In function `ztrti2_':
lapack_double.f:(.text+0x352e5): undefined reference to `ztrmv_'
lapack_double.f:(.text+0x3533c): undefined reference to `zscal_'
lapack_double.f:(.text+0x356c9): undefined reference to `ztrmv_'
lapack_double.f:(.text+0x35740): undefined reference to `zscal_'
../vasp.5.lib/lapack_double.o: In function `zpotrf_':
lapack_double.f:(.text+0x3746c): undefined reference to `zherk_'
lapack_double.f:(.text+0x3767e): undefined reference to `zgemm_'
lapack_double.f:(.text+0x377c7): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x3798a): undefined reference to `zherk_'
lapack_double.f:(.text+0x37ba6): undefined reference to `zgemm_'
lapack_double.f:(.text+0x37ced): undefined reference to `ztrsm_'
../vasp.5.lib/lapack_double.o: In function `zhegst_':
lapack_double.f:(.text+0x38298): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x38429): undefined reference to `zhemm_'
lapack_double.f:(.text+0x385c8): undefined reference to `zher2k_'
lapack_double.f:(.text+0x38759): undefined reference to `zhemm_'
lapack_double.f:(.text+0x388be): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x38be5): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x38d76): undefined reference to `zhemm_'
lapack_double.f:(.text+0x38f14): undefined reference to `zher2k_'
lapack_double.f:(.text+0x390a5): undefined reference to `zhemm_'
lapack_double.f:(.text+0x3920a): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x393c4): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x3950f): undefined reference to `zhemm_'
lapack_double.f:(.text+0x39618): undefined reference to `zher2k_'
lapack_double.f:(.text+0x39763): undefined reference to `zhemm_'
lapack_double.f:(.text+0x3988e): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x39b2b): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x39c80): undefined reference to `zhemm_'
lapack_double.f:(.text+0x39d97): undefined reference to `zher2k_'
lapack_double.f:(.text+0x39eec): undefined reference to `zhemm_'
lapack_double.f:(.text+0x3a01c): undefined reference to `ztrmm_'
../vasp.5.lib/lapack_double.o: In function `zheev_':
lapack_double.f:(.text+0x3aa99): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dstein_':
lapack_double.f:(.text+0x3cdcf): undefined reference to `dcopy_'
lapack_double.f:(.text+0x3ce30): undefined reference to `dcopy_'
lapack_double.f:(.text+0x3ce90): undefined reference to `dcopy_'
lapack_double.f:(.text+0x3cf88): undefined reference to `dasum_'
lapack_double.f:(.text+0x3d018): undefined reference to `dscal_'
lapack_double.f:(.text+0x3d1ca): undefined reference to `ddot_'
lapack_double.f:(.text+0x3d271): undefined reference to `daxpy_'
lapack_double.f:(.text+0x3d2af): undefined reference to `idamax_'
lapack_double.f:(.text+0x3d356): undefined reference to `dnrm2_'
lapack_double.f:(.text+0x3d398): undefined reference to `idamax_'
lapack_double.f:(.text+0x3d40a): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dpotrf_':
lapack_double.f:(.text+0x3e2de): undefined reference to `dsyrk_'
lapack_double.f:(.text+0x3e4e8): undefined reference to `dgemm_'
lapack_double.f:(.text+0x3e629): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x3e7e4): undefined reference to `dsyrk_'
lapack_double.f:(.text+0x3e9f0): undefined reference to `dgemm_'
lapack_double.f:(.text+0x3eb2f): undefined reference to `dtrsm_'
../vasp.5.lib/lapack_double.o: In function `dsygst_':
lapack_double.f:(.text+0x3f0ca): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x3f24f): undefined reference to `dsymm_'
lapack_double.f:(.text+0x3f3e2): undefined reference to `dsyr2k_'
lapack_double.f:(.text+0x3f567): undefined reference to `dsymm_'
lapack_double.f:(.text+0x3f6c4): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x3f9db): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x3fb60): undefined reference to `dsymm_'
lapack_double.f:(.text+0x3fcf2): undefined reference to `dsyr2k_'
lapack_double.f:(.text+0x3fe77): undefined reference to `dsymm_'
lapack_double.f:(.text+0x3ffd4): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x4018e): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x402d5): undefined reference to `dsymm_'
lapack_double.f:(.text+0x403de): undefined reference to `dsyr2k_'
lapack_double.f:(.text+0x40525): undefined reference to `dsymm_'
lapack_double.f:(.text+0x4064c): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x408dd): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x40a26): undefined reference to `dsymm_'
lapack_double.f:(.text+0x40b35): undefined reference to `dsyr2k_'
lapack_double.f:(.text+0x40c7e): undefined reference to `dsymm_'
lapack_double.f:(.text+0x40da6): undefined reference to `dtrmm_'
../vasp.5.lib/lapack_double.o: In function `dsyev_':
lapack_double.f:(.text+0x4174e): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dtrti2_':
lapack_double.f:(.text+0x41a7d): undefined reference to `dtrmv_'
lapack_double.f:(.text+0x41ad4): undefined reference to `dscal_'
lapack_double.f:(.text+0x41ce3): undefined reference to `dtrmv_'
lapack_double.f:(.text+0x41d56): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dggbal_':
lapack_double.f:(.text+0x42622): undefined reference to `dswap_'
lapack_double.f:(.text+0x426d6): undefined reference to `dswap_'
lapack_double.f:(.text+0x42796): undefined reference to `dswap_'
lapack_double.f:(.text+0x4281b): undefined reference to `dswap_'
lapack_double.f:(.text+0x42ca9): undefined reference to `ddot_'
lapack_double.f:(.text+0x42d1c): undefined reference to `ddot_'
lapack_double.f:(.text+0x42ee2): undefined reference to `dscal_'
lapack_double.f:(.text+0x42f20): undefined reference to `dscal_'
lapack_double.f:(.text+0x42fa0): undefined reference to `daxpy_'
lapack_double.f:(.text+0x4301a): undefined reference to `daxpy_'
lapack_double.f:(.text+0x43467): undefined reference to `ddot_'
lapack_double.f:(.text+0x434d1): undefined reference to `ddot_'
lapack_double.f:(.text+0x436c1): undefined reference to `daxpy_'
lapack_double.f:(.text+0x43752): undefined reference to `daxpy_'
lapack_double.f:(.text+0x438cb): undefined reference to `idamax_'
lapack_double.f:(.text+0x43996): undefined reference to `idamax_'
lapack_double.f:(.text+0x43bd2): undefined reference to `idamax_'
lapack_double.f:(.text+0x43c68): undefined reference to `idamax_'
lapack_double.f:(.text+0x43f14): undefined reference to `dscal_'
lapack_double.f:(.text+0x43f92): undefined reference to `dscal_'
lapack_double.f:(.text+0x44022): undefined reference to `dscal_'
lapack_double.f:(.text+0x44075): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dgghrd_':
lapack_double.f:(.text+0x450a8): undefined reference to `drot_'
lapack_double.f:(.text+0x4518d): undefined reference to `drot_'
lapack_double.f:(.text+0x4524a): undefined reference to `drot_'
lapack_double.f:(.text+0x4541f): undefined reference to `drot_'
lapack_double.f:(.text+0x454df): undefined reference to `drot_'
../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x4559c): more undefined references to `drot_' follow
../vasp.5.lib/lapack_double.o: In function `dtgevc_':
lapack_double.f:(.text+0x5024d): undefined reference to `dgemv_'
../vasp.5.lib/lapack_double.o: In function `dggbak_':
lapack_double.f:(.text+0x53042): undefined reference to `dscal_'
lapack_double.f:(.text+0x530e1): undefined reference to `dscal_'
lapack_double.f:(.text+0x5323a): undefined reference to `dswap_'
lapack_double.f:(.text+0x5334a): undefined reference to `dswap_'
lapack_double.f:(.text+0x53457): undefined reference to `dswap_'
lapack_double.f:(.text+0x53567): undefined reference to `dswap_'
../vasp.5.lib/lapack_double.o: In function `dgetf2_':
lapack_double.f:(.text+0x536fe): undefined reference to `idamax_'
lapack_double.f:(.text+0x537fb): undefined reference to `dswap_'
lapack_double.f:(.text+0x538b7): undefined reference to `dscal_'
lapack_double.f:(.text+0x53a0b): undefined reference to `dger_'
../vasp.5.lib/lapack_double.o: In function `zstein_':
lapack_double.f:(.text+0x549eb): undefined reference to `dcopy_'
lapack_double.f:(.text+0x54a4f): undefined reference to `dcopy_'
lapack_double.f:(.text+0x54ab2): undefined reference to `dcopy_'
lapack_double.f:(.text+0x54bb0): undefined reference to `dasum_'
lapack_double.f:(.text+0x54c49): undefined reference to `dscal_'
lapack_double.f:(.text+0x54f2c): undefined reference to `idamax_'
lapack_double.f:(.text+0x54fd6): undefined reference to `dnrm2_'
lapack_double.f:(.text+0x5501b): undefined reference to `idamax_'
lapack_double.f:(.text+0x55090): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `zgetf2_':
lapack_double.f:(.text+0x55eb8): undefined reference to `izamax_'
lapack_double.f:(.text+0x56027): undefined reference to `zswap_'
lapack_double.f:(.text+0x5619f): undefined reference to `zscal_'
lapack_double.f:(.text+0x562ff): undefined reference to `zgeru_'
../vasp.5.lib/lapack_double.o: In function `ztrtri_':
lapack_double.f:(.text+0x57009): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x57132): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x57453): undefined reference to `ztrmm_'
lapack_double.f:(.text+0x575a8): undefined reference to `ztrsm_'
../vasp.5.lib/lapack_double.o: In function `zggbal_':
lapack_double.f:(.text+0x5851d): undefined reference to `zswap_'
lapack_double.f:(.text+0x585dc): undefined reference to `zswap_'
lapack_double.f:(.text+0x586a5): undefined reference to `zswap_'
lapack_double.f:(.text+0x5872d): undefined reference to `zswap_'
lapack_double.f:(.text+0x58dfd): undefined reference to `ddot_'
lapack_double.f:(.text+0x58e70): undefined reference to `ddot_'
lapack_double.f:(.text+0x59036): undefined reference to `dscal_'
lapack_double.f:(.text+0x59074): undefined reference to `dscal_'
lapack_double.f:(.text+0x590f4): undefined reference to `daxpy_'
lapack_double.f:(.text+0x5916e): undefined reference to `daxpy_'
lapack_double.f:(.text+0x59793): undefined reference to `ddot_'
lapack_double.f:(.text+0x597fd): undefined reference to `ddot_'
lapack_double.f:(.text+0x599ed): undefined reference to `daxpy_'
lapack_double.f:(.text+0x59a7e): undefined reference to `daxpy_'
lapack_double.f:(.text+0x59bfb): undefined reference to `izamax_'
lapack_double.f:(.text+0x59d31): undefined reference to `izamax_'
lapack_double.f:(.text+0x59fd0): undefined reference to `izamax_'
lapack_double.f:(.text+0x5a0c3): undefined reference to `izamax_'
lapack_double.f:(.text+0x5a3cc): undefined reference to `zdscal_'
lapack_double.f:(.text+0x5a44e): undefined reference to `zdscal_'
lapack_double.f:(.text+0x5a4de): undefined reference to `zdscal_'
lapack_double.f:(.text+0x5a531): undefined reference to `zdscal_'
../vasp.5.lib/lapack_double.o: In function `zhgeqz_':
lapack_double.f:(.text+0x5c882): undefined reference to `zscal_'
lapack_double.f:(.text+0x5c8d3): undefined reference to `zscal_'
lapack_double.f:(.text+0x5ca85): undefined reference to `zscal_'
lapack_double.f:(.text+0x5f102): undefined reference to `zscal_'
lapack_double.f:(.text+0x5f180): undefined reference to `zscal_'
../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x5f332): more undefined references to `zscal_' follow
../vasp.5.lib/lapack_double.o: In function `ztgevc_':
lapack_double.f:(.text+0x6616a): undefined reference to `zgemv_'
lapack_double.f:(.text+0x67ff5): undefined reference to `zgemv_'
../vasp.5.lib/lapack_double.o: In function `zggbak_':
lapack_double.f:(.text+0x68720): undefined reference to `zdscal_'
lapack_double.f:(.text+0x687c3): undefined reference to `zdscal_'
lapack_double.f:(.text+0x68924): undefined reference to `zswap_'
lapack_double.f:(.text+0x68a3c): undefined reference to `zswap_'
lapack_double.f:(.text+0x68b51): undefined reference to `zswap_'
lapack_double.f:(.text+0x68c69): undefined reference to `zswap_'
../vasp.5.lib/lapack_double.o: In function `zhegv_':
lapack_double.f:(.text+0x694ec): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x695ce): undefined reference to `ztrmm_'
../vasp.5.lib/lapack_double.o: In function `dsyevx_':
lapack_double.f:(.text+0x69f0c): undefined reference to `dscal_'
lapack_double.f:(.text+0x69f9c): undefined reference to `dscal_'
lapack_double.f:(.text+0x6a1fb): undefined reference to `dcopy_'
lapack_double.f:(.text+0x6a282): undefined reference to `dcopy_'
lapack_double.f:(.text+0x6a411): undefined reference to `dcopy_'
lapack_double.f:(.text+0x6a8e9): undefined reference to `dscal_'
lapack_double.f:(.text+0x6ab07): undefined reference to `dswap_'
../vasp.5.lib/lapack_double.o: In function `dsygv_':
lapack_double.f:(.text+0x6b0f4): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x6b1d6): undefined reference to `dtrmm_'
../vasp.5.lib/lapack_double.o: In function `dtrtri_':
lapack_double.f:(.text+0x6b702): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x6b827): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x6bb3c): undefined reference to `dtrmm_'
lapack_double.f:(.text+0x6bc89): undefined reference to `dtrsm_'
../vasp.5.lib/lapack_double.o: In function `dgetrf_':
lapack_double.f:(.text+0x6ea43): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x6ec1e): undefined reference to `dgemm_'
../vasp.5.lib/lapack_double.o: In function `dgetrs_':
lapack_double.f:(.text+0x6eef6): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x6efa1): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x6f045): undefined reference to `dtrsm_'
lapack_double.f:(.text+0x6f0e2): undefined reference to `dtrsm_'
../vasp.5.lib/lapack_double.o: In function `zheevx_':
lapack_double.f:(.text+0x6fb24): undefined reference to `zdscal_'
lapack_double.f:(.text+0x6fbb4): undefined reference to `zdscal_'
lapack_double.f:(.text+0x6fe23): undefined reference to `dcopy_'
lapack_double.f:(.text+0x6feaa): undefined reference to `dcopy_'
lapack_double.f:(.text+0x70044): undefined reference to `dcopy_'
lapack_double.f:(.text+0x70518): undefined reference to `dscal_'
lapack_double.f:(.text+0x70736): undefined reference to `zswap_'
../vasp.5.lib/lapack_double.o: In function `zgetrf_':
lapack_double.f:(.text+0x70e89): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x71070): undefined reference to `zgemm_'
../vasp.5.lib/lapack_double.o: In function `zgetri_':
lapack_double.f:(.text+0x71735): undefined reference to `zgemv_'
lapack_double.f:(.text+0x71bb6): undefined reference to `zgemm_'
lapack_double.f:(.text+0x71ca5): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x71da6): undefined reference to `zswap_'
../vasp.5.lib/lapack_double.o: In function `zgetrs_':
lapack_double.f:(.text+0x720aa): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x72155): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x721f8): undefined reference to `ztrsm_'
lapack_double.f:(.text+0x72294): undefined reference to `ztrsm_'
../vasp.5.lib/lapack_double.o: In function `dbdsqr_':
lapack_double.f:(.text+0x7dd8b): undefined reference to `drot_'
lapack_double.f:(.text+0x7de51): undefined reference to `drot_'
lapack_double.f:(.text+0x7df1a): undefined reference to `drot_'
lapack_double.f:(.text+0x7fece): undefined reference to `dscal_'
lapack_double.f:(.text+0x80075): undefined reference to `dswap_'
lapack_double.f:(.text+0x80114): undefined reference to `dswap_'
lapack_double.f:(.text+0x801b6): undefined reference to `dswap_'
../vasp.5.lib/lapack_double.o: In function `dgebrd_':
lapack_double.f:(.text+0x81627): undefined reference to `dgemm_'
lapack_double.f:(.text+0x817a5): undefined reference to `dgemm_'
../vasp.5.lib/lapack_double.o: In function `dlabrd_':
lapack_double.f:(.text+0x81cbd): undefined reference to `dgemv_'
lapack_double.f:(.text+0x81deb): undefined reference to `dgemv_'
lapack_double.f:(.text+0x820a1): undefined reference to `dgemv_'
lapack_double.f:(.text+0x821db): undefined reference to `dgemv_'
lapack_double.f:(.text+0x82316): undefined reference to `dgemv_'
../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x82450): more undefined references to `dgemv_' follow
../vasp.5.lib/lapack_double.o: In function `dlabrd_':
lapack_double.f:(.text+0x82605): undefined reference to `dscal_'
lapack_double.f:(.text+0x82731): undefined reference to `dgemv_'
lapack_double.f:(.text+0x8286e): undefined reference to `dgemv_'
lapack_double.f:(.text+0x82b20): undefined reference to `dgemv_'
lapack_double.f:(.text+0x82c51): undefined reference to `dgemv_'
lapack_double.f:(.text+0x82d7e): undefined reference to `dgemv_'
../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x82ebc): more undefined references to `dgemv_' follow
../vasp.5.lib/lapack_double.o: In function `dlabrd_':
lapack_double.f:(.text+0x83072): undefined reference to `dscal_'
lapack_double.f:(.text+0x831d0): undefined reference to `dgemv_'
lapack_double.f:(.text+0x832fa): undefined reference to `dgemv_'
lapack_double.f:(.text+0x835ad): undefined reference to `dgemv_'
lapack_double.f:(.text+0x836eb): undefined reference to `dgemv_'
lapack_double.f:(.text+0x83826): undefined reference to `dgemv_'
../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x83963): more undefined references to `dgemv_' follow
../vasp.5.lib/lapack_double.o: In function `dlabrd_':
lapack_double.f:(.text+0x83b19): undefined reference to `dscal_'
lapack_double.f:(.text+0x83c55): undefined reference to `dgemv_'
lapack_double.f:(.text+0x83d82): undefined reference to `dgemv_'
lapack_double.f:(.text+0x84031): undefined reference to `dgemv_'
lapack_double.f:(.text+0x8416c): undefined reference to `dgemv_'
lapack_double.f:(.text+0x842a7): undefined reference to `dgemv_'
../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x843d4): more undefined references to `dgemv_' follow
../vasp.5.lib/lapack_double.o: In function `dlabrd_':
lapack_double.f:(.text+0x8457b): undefined reference to `dscal_'
../vasp.5.lib/lapack_double.o: In function `dlasq1_':
lapack_double.f:(.text+0x84b2e): undefined reference to `dcopy_'
lapack_double.f:(.text+0x84b77): undefined reference to `dcopy_'
../vasp.5.lib/lapack_double.o: In function `dorgl2_':
lapack_double.f:(.text+0x8a87d): undefined reference to `dscal_'
make: *** [vasp] 错误 1






我的makefile是
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for Intel Fortran compiler for Pentium/Athlon/Opteron
# bases systems
# we recommend this makefile for both Intel as well as AMD systems
# for AMD based systems appropriate BLAS and fftw libraries are
# however mandatory (whereas they are optional for Intel platforms)
#
# The makefile was tested only under Linux on Intel and AMD platforms
# the following compiler versions have been tested:
#  - ifc.7.1  works stable somewhat slow but reliably
#  - ifc.8.1  fails to compile the code properly
#  - ifc.9.1  recommended (both for 32 and 64 bit)
#  - ifc.10.1 partially recommended (both for 32 and 64 bit)
#             tested build 20080312 Package ID: l_fc_p_10.1.015
#             the gamma only mpi version can not be compiles
#             using ifc.10.1
#
# it might be required to change some of library pathes, since
# LINUX installation vary a lot
# Hence check ***ALL*** options in this makefile very carefully
#-----------------------------------------------------------------------
#
# BLAS must be installed on the machine
# there are several options:
# 1) very slow but works:
#   retrieve the lapackage from ftp.netlib.org
#   and compile the blas routines (BLAS/SRC directory)
#   please use g77 or f77 for the compilation. When I tried to
#   use pgf77 or pgf90 for BLAS, VASP hang up when calling
#   ZHEEV  (however this was with lapack 1.1 now I use lapack 2.0)
# 2) more desirable: get an optimized BLAS
#
# the two most reliable packages around are presently:
# 2a) Intels own optimised BLAS (PIII, P4, PD, PC2, Itanium)
#     http://developer.intel.com/software/products/mkl/
#   this is really excellent, if you use Intel CPU's
#
# 2b) probably fastest SSE2 (4 GFlops on P4, 2.53 GHz, 16 GFlops PD,
#     around 30 GFlops on Quad core)
#   Kazushige Goto's BLAS
#   http://www.cs.utexas.edu/users/kgoto/signup_first.html
#   http://www.tacc.utexas.edu/resources/software/
#
#-----------------------------------------------------------------------

# all CPP processed fortran files have the extension .f90
SUFFIX=.f90

#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=/opt/intel/Compiler/11.0/074/bin/intel64/ifort
# fortran linker
FCL=$(FC)


#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
#  CPP_   =  /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
#  CPP_   =  /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
#  SUSE X.X, maybe some Red Hat distributions:

CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf             charge density   reduced in X direction
# wNGXhalf            gamma point only reduced in X direction
# avoidalloc          avoid ALLOCATE if possible
# PGF90               work around some for some PGF90 / IFC bugs
# CACHE_SIZE          1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4, PD
# RPROMU_DGEMV        use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV        use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------

CPP     = $(CPP_)  -DHOST=\"LinuxIFC\" \
          -Dkind8 -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc  \
#          -DRPROMU_DGEMV  -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# general fortran flags  (there must a trailing blank on this line)
# byterecl is strictly required for ifc, since otherwise
# the WAVECAR file becomes huge
#-----------------------------------------------------------------------

FFLAGS= -FR -lowercase -assume byterecl -I/opt/intel/Compiler/11.0/074/mkl/include/fftw

#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK  SSE1 optimization,  but also generate code executable on all mach.
#       xK improves performance somewhat on XP, and a is required in order
#       to run the code on older Athlons as well
# -xW   SSE2 optimization
# -axW  SSE2 optimization,  but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------

# ifc.9.1, ifc.10.1 recommended
OFLAG=-O3

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG  = -FR -O0
INLINE = $(OFLAG)

#-----------------------------------------------------------------------
# the following lines specify the position of BLAS  and LAPACK
# VASP works fastest with the libgoto library
# so that's what we recommend
#-----------------------------------------------------------------------

# mkl.10.0
# set -DRPROMU_DGEMV  -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/10.2.6.038/lib/em64t -lmkl_intel_lp64 -lmkl_blacs_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread

# even faster for VASP Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
# parallel goto version requires sometimes -libverbs
BLAS=/usr/local/lib/libgoto_copperminep-r1.09.so

# LAPACK, simplest use vasp.5.lib/lapack_double
LAPACK= ../vasp.5.lib/lapack_double.o

# use the mkl Intel lapack
#LAPACK= -lmkl_lapack

#-----------------------------------------------------------------------

LIB  = -L../vasp.5.lib -ldmy \
     ../vasp.5.lib/linpack_double.o $(LAPACK) \
     $(BLAS)

# options for linking, nothing is required (usually)
LINK    =

#-----------------------------------------------------------------------
# fft libraries:
# VASP.5.2 can use fftw.3.1.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------

#FFT3D   = fft3dfurth.o fft3dlib.o
#FFT3D   = fftw3d.o fft3dlib.o   /opt/libs/fftw-3.0.1/lib/libfftw3.a

# alternatively: fftw.3.1.X is slighly faster and should be used if available
#FFT3D= fftmpiw.o fftmpi_map.o fft3dlib.o /opt/intel/mkl/10.2.6.038/lib/em64t /libfftw3xf_intel.a


#=======================================================================
# MPI section, uncomment the following lines until
#    general  rules and compile lines
# presently we recommend OPENMPI, since it seems to offer better
# performance than lam or mpich
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi
#-----------------------------------------------------------------------

FC=mpif90
FCL=$(FC)

#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf               charge density   reduced in Z direction
# wNGZhalf              gamma point only reduced in Z direction
# scaLAPACK             use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------

CPP    = $(CPP_) -DMPI  -DHOST=\"LinuxIFC\" -DIFC \
     -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc  \
#     -DMPI_BLOCK=8000
##    -DRPROMU_DGEMV  -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply leave that section commented out
#-----------------------------------------------------------------------

BLACS=$(HOME)/archives/SCALAPACK/BLACS/
SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK

SCA= $(SCA_)/libscalapack.a  \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a

SCA=

#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------

LIB     = -L../vasp.5.lib -ldmy  \
      ../vasp.5.lib/linpack_double.o $(LAPACK) \
     $(SCA) $(BLAS)

# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
FFT3D   = fftmpi.o fftmpi_map.o fft3dfurth.o fft3dlib.o

# alternatively: fftw.3.1.X is slighly faster and should be used if available
# No way to use FFTW (copy /prg/fftw/include/fftw3.f in the dir or use -I)   
# FFT3D = fftmpiw.o fftmpi_map.o  fft3dlib.o   /prg/fftw/lib/libfftw3.a

#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC=   symmetry.o symlib.o   lattlib.o  random.o   

SOURCE=  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       xclib.o     xclib_grad.o \
         radial.o   pseudo.o   mgrid.o    gridq.o     ebs.o  \
         mkpoints.o wave.o     wave_mpi.o  wave_high.o  \
         $(BASIC)   nonl.o     nonlr.o    nonl_high.o dfast.o    choleski2.o \
         mix.o      hamil.o    xcgrad.o   xcspin.o    potex1.o   potex2.o  \
         metagga.o constrmag.o cl_shift.o relativistic.o LDApU.o \
         paw_base.o egrad.o    pawsym.o   pawfock.o  pawlhf.o    paw.o   \
         mkpoints_full.o       charge.o   dipol.o    pot.o  \
         dos.o      elf.o      tet.o      tetweight.o hamil_rot.o \
         steep.o    chain.o    dyna.o     sphpro.o    us.o  core_rel.o \
         aedens.o   wavpre.o   wavpre_noio.o broyden.o \
         dynbr.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.o     mkpoints_change.o sym_grad.o \
         mymath.o   internals.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o \
         hamil_high.o nmr.o    force.o \
         pead.o     subrot.o   subrot_scf.o pwlhf.o  gw_model.o optreal.o   davidson.o \
         electron.o rot.o  electron_all.o shm.o    pardens.o  paircorrection.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 linear_response.o   \
         setlocalpp.o  wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o \
         ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o \
         ump2.o bse.o acfdt.o chi.o sydmat.o

INC=

vasp: $(SOURCE) $(FFT3D) $(INC) main.o
        rm -f vasp
        $(FCL) -o vasp main.o  $(SOURCE)   $(FFT3D) $(LIB) $(LINK)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
        $(FCL) -o makeparam  $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
        $(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
        $(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
        $(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
        $(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)

clean:       
        -rm -f *.g *.f *.o *.L *.mod ; touch *.F

main.o: main$(SUFFIX)
        $(FC) $(FFLAGS)$(DEBUG)  $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
        $(FC) $(FFLAGS) $(INLINE)  $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
        $(FC) $(FFLAGS) $(INLINE)  $(INCS) -c xcspin$(SUFFIX)

makeparam.o: makeparam$(SUFFIX)
        $(FC) $(FFLAGS)$(DEBUG)  $(INCS) -c makeparam$(SUFFIX)

makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F

$(OBJ_HIGH):
        $(CPP)
        $(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
        $(CPP)
        $(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)

fft3dlib_f77.o: fft3dlib_f77.F
        $(CPP)
        $(F77) $(FFLAGS_F77) -c $*$(SUFFIX)

.F.o:
        $(CPP)
        $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
        $(CPP)
$(SUFFIX).o:
        $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)

# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
#   in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used

fft3dlib.o : fft3dlib.F
        $(CPP)
        $(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

radial.o : radial.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

symlib.o : symlib.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

symmetry.o : symmetry.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

wave_mpi.o : wave_mpi.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

wave.o : wave.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

dynbr.o : dynbr.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

asa.o : asa.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

broyden.o : broyden.F
        $(CPP)
        $(FC) -FR -lowercase -O2 -c $*$(SUFFIX)

us.o : us.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

LDApU.o : LDApU.F
        $(CPP)
        $(FC) -FR -lowercase -O2 -c $*$(SUFFIX)

情哪位帮我看看是什么原因好么？？
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1楼 2011-11-17 20:09:07
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hnuzhoulin

金虫 (小有名气)

【答案】应助回帖

★ ★
mazuju028(金币+2): 谢谢交流 2011-11-21 18:14:24
ddr6021023(金币+8): 谢谢 2011-11-24 19:32:33
是库文件的问题，重新编译一下自带的lapack库，注意编译器是配套的ifort

如果还是不行就用mkl库呗

还有好像你链接了mkl里面的fftw库，是否有编译一下呢？
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3楼2011-11-21 16:49:05
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dyc_2008

捐助贵宾 (著名写手)

【答案】应助回帖

★
ddr6021023(金币+2): 谢谢，我是重庆北碚区的，现在貌似有点进展了，在测试装起没有，不过还是谢谢你，以后我们可以多交流呀 2011-11-24 19:33:39
youzhizhe(金币+1): 谢谢交流。 2011-11-24 23:16:15
如果是重庆主城范围
我可上门友情协助
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一布福田，二修菩提
4楼2011-11-24 09:24:05
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ddr6021023

至尊木虫 (著名写手)
引用回帖:
4楼: Originally posted by dyc_2008 at 2011-11-24 09:24:05:
如果是重庆主城范围
我可上门友情协助

谢谢，我是重庆北碚区的，现在貌似有点进展了，在测试装起没有，不过还是谢谢你，以后我们可以多交流呀
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5楼2011-11-24 19:37:15
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dxf_dxf_dxf

银虫 (小有名气)
能否发布一下最后的Makefile？
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6楼2012-04-12 15:54:40
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