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[求助]
安裝vasp 5.2最后編譯vasp階段出錯 已有1人參與
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對于linux不是很懂，過程完全按照帖子http://www.gaoyang168.com/bbs/viewthread.php?tid=7751901來，在編譯vasp階段出現(xiàn)如下錯誤： lapack_double.f:(.text+0x385d): undefined reference to `ztrmm_' lapack_double.f:(.text+0x38fd): undefined reference to `zgemm_' lapack_double.f:(.text+0x39a1): undefined reference to `ztrmm_' lapack_double.f:(.text+0x3c69): undefined reference to `zcopy_' lapack_double.f:(.text+0x3d2d): undefined reference to `ztrmm_' lapack_double.f:(.text+0x3e07): undefined reference to `zgemm_' lapack_double.f:(.text+0x3e80): undefined reference to `ztrmm_' lapack_double.f:(.text+0x3f59): undefined reference to `zgemm_' lapack_double.f:(.text+0x3fd2): undefined reference to `ztrmm_' lapack_double.f:(.text+0x41fa): undefined reference to `zcopy_' lapack_double.f:(.text+0x4283): undefined reference to `ztrmm_' lapack_double.f:(.text+0x435a): undefined reference to `zgemm_' lapack_double.f:(.text+0x43d2): undefined reference to `ztrmm_' lapack_double.f:(.text+0x44a5): undefined reference to `zgemm_' lapack_double.f:(.text+0x451e): undefined reference to `ztrmm_' lapack_double.f:(.text+0x4768): undefined reference to `zcopy_' lapack_double.f:(.text+0x4851): undefined reference to `ztrmm_' lapack_double.f:(.text+0x48eb): undefined reference to `zgemm_' lapack_double.f:(.text+0x4964): undefined reference to `ztrmm_' lapack_double.f:(.text+0x4a01): undefined reference to `zgemm_' lapack_double.f:(.text+0x4a9f): undefined reference to `ztrmm_' lapack_double.f:(.text+0x4d04): undefined reference to `zcopy_' lapack_double.f:(.text+0x4db2): undefined reference to `ztrmm_' lapack_double.f:(.text+0x4e4f): undefined reference to `zgemm_' lapack_double.f:(.text+0x4ec7): undefined reference to `ztrmm_' lapack_double.f:(.text+0x4f64): undefined reference to `zgemm_' lapack_double.f:(.text+0x5002): undefined reference to `ztrmm_' ../vasp.5.lib/lapack_double.o: In function `zung2r_': lapack_double.f:(.text+0x55e3): undefined reference to `zscal_' ../vasp.5.lib/lapack_double.o: In function `dlarfg_': lapack_double.f:(.text+0x5762): undefined reference to `dnrm2_' lapack_double.f:(.text+0x58d0): undefined reference to `dscal_' lapack_double.f:(.text+0x593a): undefined reference to `dnrm2_' lapack_double.f:(.text+0x5a46): undefined reference to `dscal_' lapack_double.f:(.text+0x5b09): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dorg2l_': lapack_double.f:(.text+0x5e03): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dlarft_': lapack_double.f:(.text+0x611b): undefined reference to `dgemv_' lapack_double.f:(.text+0x61ff): undefined reference to `dgemv_' lapack_double.f:(.text+0x62a5): undefined reference to `dtrmv_' lapack_double.f:(.text+0x650a): undefined reference to `dgemv_' lapack_double.f:(.text+0x669e): undefined reference to `dgemv_' lapack_double.f:(.text+0x677c): undefined reference to `dtrmv_' ../vasp.5.lib/lapack_double.o: In function `dlarfb_': lapack_double.f:(.text+0x6969): undefined reference to `dcopy_' lapack_double.f:(.text+0x69ef): undefined reference to `dtrmm_' lapack_double.f:(.text+0x6ac4): undefined reference to `dgemm_' lapack_double.f:(.text+0x6b3d): undefined reference to `dtrmm_' lapack_double.f:(.text+0x6c0b): undefined reference to `dgemm_' lapack_double.f:(.text+0x6c84): undefined reference to `dtrmm_' lapack_double.f:(.text+0x6dfe): undefined reference to `dcopy_' lapack_double.f:(.text+0x6e87): undefined reference to `dtrmm_' lapack_double.f:(.text+0x6f5a): undefined reference to `dgemm_' lapack_double.f:(.text+0x6fd2): undefined reference to `dtrmm_' lapack_double.f:(.text+0x70a7): undefined reference to `dgemm_' lapack_double.f:(.text+0x7120): undefined reference to `dtrmm_' lapack_double.f:(.text+0x72a3): undefined reference to `dcopy_' lapack_double.f:(.text+0x734f): undefined reference to `dtrmm_' lapack_double.f:(.text+0x73ec): undefined reference to `dgemm_' lapack_double.f:(.text+0x7465): undefined reference to `dtrmm_' lapack_double.f:(.text+0x74ff): undefined reference to `dgemm_' lapack_double.f:(.text+0x759e): undefined reference to `dtrmm_' lapack_double.f:(.text+0x773d): undefined reference to `dcopy_' lapack_double.f:(.text+0x77ec): undefined reference to `dtrmm_' lapack_double.f:(.text+0x7886): undefined reference to `dgemm_' lapack_double.f:(.text+0x78fe): undefined reference to `dtrmm_' lapack_double.f:(.text+0x799e): undefined reference to `dgemm_' lapack_double.f:(.text+0x7a3d): undefined reference to `dtrmm_' lapack_double.f:(.text+0x7c3c): undefined reference to `dcopy_' lapack_double.f:(.text+0x7cc5): undefined reference to `dtrmm_' lapack_double.f:(.text+0x7d98): undefined reference to `dgemm_' lapack_double.f:(.text+0x7e11): undefined reference to `dtrmm_' lapack_double.f:(.text+0x7ee3): undefined reference to `dgemm_' lapack_double.f:(.text+0x7f5c): undefined reference to `dtrmm_' lapack_double.f:(.text+0x80d6): undefined reference to `dcopy_' lapack_double.f:(.text+0x815f): undefined reference to `dtrmm_' lapack_double.f:(.text+0x8236): undefined reference to `dgemm_' lapack_double.f:(.text+0x82ae): undefined reference to `dtrmm_' lapack_double.f:(.text+0x8381): undefined reference to `dgemm_' lapack_double.f:(.text+0x83fa): undefined reference to `dtrmm_' lapack_double.f:(.text+0x8595): undefined reference to `dcopy_' lapack_double.f:(.text+0x8643): undefined reference to `dtrmm_' lapack_double.f:(.text+0x86dd): undefined reference to `dgemm_' lapack_double.f:(.text+0x8756): undefined reference to `dtrmm_' lapack_double.f:(.text+0x87f3): undefined reference to `dgemm_' lapack_double.f:(.text+0x8891): undefined reference to `dtrmm_' lapack_double.f:(.text+0x8a30): undefined reference to `dcopy_' lapack_double.f:(.text+0x8ade): undefined reference to `dtrmm_' lapack_double.f:(.text+0x8b7b): undefined reference to `dgemm_' lapack_double.f:(.text+0x8bf3): undefined reference to `dtrmm_' lapack_double.f:(.text+0x8c90): undefined reference to `dgemm_' lapack_double.f:(.text+0x8d2e): undefined reference to `dtrmm_' ../vasp.5.lib/lapack_double.o: In function `dorg2r_': lapack_double.f:(.text+0x912c): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `zlatrd_': lapack_double.f:(.text+0x9437): undefined reference to `zgemv_' lapack_double.f:(.text+0x959e): undefined reference to `zgemv_' lapack_double.f:(.text+0x989b): undefined reference to `zhemv_' lapack_double.f:(.text+0x997f): undefined reference to `zgemv_' lapack_double.f:(.text+0x9a53): undefined reference to `zgemv_' lapack_double.f:(.text+0x9b27): undefined reference to `zgemv_' lapack_double.f:(.text+0x9bfb): undefined reference to `zgemv_' lapack_double.f:(.text+0x9c4b): undefined reference to `zscal_' lapack_double.f:(.text+0x9cb7): undefined reference to `zdotc_' lapack_double.f:(.text+0x9e1d): undefined reference to `zaxpy_' lapack_double.f:(.text+0xa005): undefined reference to `zgemv_' lapack_double.f:(.text+0xa165): undefined reference to `zgemv_' lapack_double.f:(.text+0xa4a9): undefined reference to `zhemv_' lapack_double.f:(.text+0xa577): undefined reference to `zgemv_' lapack_double.f:(.text+0xa645): undefined reference to `zgemv_' lapack_double.f:(.text+0xa713): undefined reference to `zgemv_' lapack_double.f:(.text+0xa7e1): undefined reference to `zgemv_' lapack_double.f:(.text+0xa841): undefined reference to `zscal_' lapack_double.f:(.text+0xa8c9): undefined reference to `zdotc_' lapack_double.f:(.text+0xaa4b): undefined reference to `zaxpy_' ../vasp.5.lib/lapack_double.o: In function `zhetd2_': lapack_double.f:(.text+0xae57): undefined reference to `zhemv_' lapack_double.f:(.text+0xaea8): undefined reference to `zdotc_' lapack_double.f:(.text+0xafc3): undefined reference to `zaxpy_' lapack_double.f:(.text+0xb02d): undefined reference to `zher2_' lapack_double.f:(.text+0xb4fd): undefined reference to `zhemv_' lapack_double.f:(.text+0xb56d): undefined reference to `zdotc_' lapack_double.f:(.text+0xb6a8): undefined reference to `zaxpy_' lapack_double.f:(.text+0xb756): undefined reference to `zher2_' ../vasp.5.lib/lapack_double.o: In function `dlatrd_': lapack_double.f:(.text+0x13c24): undefined reference to `dgemv_' lapack_double.f:(.text+0x13ce4): undefined reference to `dgemv_' lapack_double.f:(.text+0x13e4f): undefined reference to `dsymv_' lapack_double.f:(.text+0x13f2e): undefined reference to `dgemv_' lapack_double.f:(.text+0x13ffd): undefined reference to `dgemv_' lapack_double.f:(.text+0x140cc): undefined reference to `dgemv_' lapack_double.f:(.text+0x1419b): undefined reference to `dgemv_' lapack_double.f:(.text+0x141e7): undefined reference to `dscal_' lapack_double.f:(.text+0x14249): undefined reference to `ddot_' lapack_double.f:(.text+0x142f9): undefined reference to `daxpy_' lapack_double.f:(.text+0x143f4): undefined reference to `dgemv_' lapack_double.f:(.text+0x144bf): undefined reference to `dgemv_' lapack_double.f:(.text+0x14676): undefined reference to `dsymv_' lapack_double.f:(.text+0x14738): undefined reference to `dgemv_' lapack_double.f:(.text+0x147fa): undefined reference to `dgemv_' lapack_double.f:(.text+0x148bc): undefined reference to `dgemv_' lapack_double.f:(.text+0x1497e): undefined reference to `dgemv_' lapack_double.f:(.text+0x149d6): undefined reference to `dscal_' lapack_double.f:(.text+0x14a4a): undefined reference to `ddot_' lapack_double.f:(.text+0x14b0c): undefined reference to `daxpy_' ../vasp.5.lib/lapack_double.o: In function `dsytd2_': lapack_double.f:(.text+0x14d9a): undefined reference to `dsymv_' lapack_double.f:(.text+0x14de1): undefined reference to `ddot_' lapack_double.f:(.text+0x14e61): undefined reference to `daxpy_' lapack_double.f:(.text+0x14ecb): undefined reference to `dsyr2_' lapack_double.f:(.text+0x1512b): undefined reference to `dsymv_' lapack_double.f:(.text+0x15189): undefined reference to `ddot_' lapack_double.f:(.text+0x15221): undefined reference to `daxpy_' lapack_double.f:(.text+0x152c2): undefined reference to `dsyr2_' ../vasp.5.lib/lapack_double.o: In function `zpotf2_': lapack_double.f:(.text+0x18f10): undefined reference to `zdotc_' lapack_double.f:(.text+0x19189): undefined reference to `zgemv_' lapack_double.f:(.text+0x19239): undefined reference to `zdscal_' lapack_double.f:(.text+0x192e0): undefined reference to `zdotc_' lapack_double.f:(.text+0x19568): undefined reference to `zgemv_' lapack_double.f:(.text+0x1961e): undefined reference to `zdscal_' ../vasp.5.lib/lapack_double.o: In function `zhegs2_': lapack_double.f:(.text+0x1993d): undefined reference to `zdscal_' lapack_double.f:(.text+0x19ac1): undefined reference to `zaxpy_' lapack_double.f:(.text+0x19b8a): undefined reference to `zher2_' lapack_double.f:(.text+0x19c14): undefined reference to `zaxpy_' lapack_double.f:(.text+0x19d13): undefined reference to `ztrsv_' lapack_double.f:(.text+0x19f19): undefined reference to `zdscal_' lapack_double.f:(.text+0x19ff7): undefined reference to `zaxpy_' lapack_double.f:(.text+0x1a0be): undefined reference to `zher2_' lapack_double.f:(.text+0x1a146): undefined reference to `zaxpy_' lapack_double.f:(.text+0x1a1f6): undefined reference to `ztrsv_' lapack_double.f:(.text+0x1a30c): undefined reference to `ztrmv_' lapack_double.f:(.text+0x1a3c0): undefined reference to `zaxpy_' lapack_double.f:(.text+0x1a447): undefined reference to `zher2_' lapack_double.f:(.text+0x1a4b3): undefined reference to `zaxpy_' lapack_double.f:(.text+0x1a4fb): undefined reference to `zdscal_' lapack_double.f:(.text+0x1a6dc): undefined reference to `ztrmv_' lapack_double.f:(.text+0x1a7e2): undefined reference to `zaxpy_' lapack_double.f:(.text+0x1a877): undefined reference to `zher2_' lapack_double.f:(.text+0x1a8f1): undefined reference to `zaxpy_' lapack_double.f:(.text+0x1a983): undefined reference to `zdscal_' ../vasp.5.lib/lapack_double.o: In function `zhetrd_': lapack_double.f:(.text+0x1c15b): undefined reference to `zher2k_' lapack_double.f:(.text+0x1c45d): undefined reference to `zher2k_' ../vasp.5.lib/lapack_double.o: In function `zsteqr_': lapack_double.f:(.text+0x1fb9f): undefined reference to `zswap_' ../vasp.5.lib/lapack_double.o: In function `dpotf2_': lapack_double.f:(.text+0x234ce): undefined reference to `ddot_' lapack_double.f:(.text+0x2366b): undefined reference to `dgemv_' lapack_double.f:(.text+0x236d4): undefined reference to `dscal_' lapack_double.f:(.text+0x2376a): undefined reference to `ddot_' lapack_double.f:(.text+0x23905): undefined reference to `dgemv_' lapack_double.f:(.text+0x2396c): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dsygs2_': lapack_double.f:(.text+0x23c2d): undefined reference to `dscal_' lapack_double.f:(.text+0x23ccf): undefined reference to `daxpy_' lapack_double.f:(.text+0x23d8d): undefined reference to `dsyr2_' lapack_double.f:(.text+0x23e0e): undefined reference to `daxpy_' lapack_double.f:(.text+0x23eb6): undefined reference to `dtrsv_' lapack_double.f:(.text+0x2400d): undefined reference to `dscal_' lapack_double.f:(.text+0x240a9): undefined reference to `daxpy_' lapack_double.f:(.text+0x24161): undefined reference to `dsyr2_' lapack_double.f:(.text+0x241dc): undefined reference to `daxpy_' lapack_double.f:(.text+0x24282): undefined reference to `dtrsv_' lapack_double.f:(.text+0x24392): undefined reference to `dtrmv_' lapack_double.f:(.text+0x24414): undefined reference to `daxpy_' lapack_double.f:(.text+0x2449b): undefined reference to `dsyr2_' lapack_double.f:(.text+0x24504): undefined reference to `daxpy_' lapack_double.f:(.text+0x2454c): undefined reference to `dscal_' lapack_double.f:(.text+0x2468f): undefined reference to `dtrmv_' lapack_double.f:(.text+0x24715): undefined reference to `daxpy_' lapack_double.f:(.text+0x247a0): undefined reference to `dsyr2_' lapack_double.f:(.text+0x2480d): undefined reference to `daxpy_' lapack_double.f:(.text+0x24856): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dsytrd_': lapack_double.f:(.text+0x24d82): undefined reference to `dsyr2k_' lapack_double.f:(.text+0x2500e): undefined reference to `dsyr2k_' ../vasp.5.lib/lapack_double.o: In function `dsteqr_': lapack_double.f:(.text+0x27148): undefined reference to `dswap_' ../vasp.5.lib/lapack_double.o: In function `ztrti2_': lapack_double.f:(.text+0x2c288): undefined reference to `ztrmv_' lapack_double.f:(.text+0x2c2cd): undefined reference to `zscal_' lapack_double.f:(.text+0x2c59d): undefined reference to `ztrmv_' lapack_double.f:(.text+0x2c5f3): undefined reference to `zscal_' ../vasp.5.lib/lapack_double.o: In function `zpotrf_': lapack_double.f:(.text+0x2e529): undefined reference to `zherk_' lapack_double.f:(.text+0x2e68d): undefined reference to `zgemm_' lapack_double.f:(.text+0x2e765): undefined reference to `ztrsm_' lapack_double.f:(.text+0x2e892): undefined reference to `zherk_' lapack_double.f:(.text+0x2ea02): undefined reference to `zgemm_' lapack_double.f:(.text+0x2ead6): undefined reference to `ztrsm_' ../vasp.5.lib/lapack_double.o: In function `zhegst_': lapack_double.f:(.text+0x2ef12): undefined reference to `ztrsm_' lapack_double.f:(.text+0x2f00a): undefined reference to `zhemm_' lapack_double.f:(.text+0x2f109): undefined reference to `zher2k_' lapack_double.f:(.text+0x2f201): undefined reference to `zhemm_' lapack_double.f:(.text+0x2f2e5): undefined reference to `ztrsm_' lapack_double.f:(.text+0x2f4ec): undefined reference to `ztrsm_' lapack_double.f:(.text+0x2f5e2): undefined reference to `zhemm_' lapack_double.f:(.text+0x2f6df): undefined reference to `zher2k_' lapack_double.f:(.text+0x2f7d5): undefined reference to `zhemm_' lapack_double.f:(.text+0x2f8b8): undefined reference to `ztrsm_' lapack_double.f:(.text+0x2f9df): undefined reference to `ztrmm_' lapack_double.f:(.text+0x2faa6): undefined reference to `zhemm_' lapack_double.f:(.text+0x2fb4c): undefined reference to `zher2k_' lapack_double.f:(.text+0x2fc13): undefined reference to `zhemm_' lapack_double.f:(.text+0x2fccd): undefined reference to `ztrmm_' lapack_double.f:(.text+0x2fe7c): undefined reference to `ztrmm_' lapack_double.f:(.text+0x2ff51): undefined reference to `zhemm_' lapack_double.f:(.text+0x30005): undefined reference to `zher2k_' lapack_double.f:(.text+0x300da): undefined reference to `zhemm_' lapack_double.f:(.text+0x3019b): undefined reference to `ztrmm_' ../vasp.5.lib/lapack_double.o: In function `zheev_': lapack_double.f:(.text+0x30a1d): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dstein_': lapack_double.f:(.text+0x329f5): undefined reference to `dcopy_' lapack_double.f:(.text+0x32a3c): undefined reference to `dcopy_' lapack_double.f:(.text+0x32a82): undefined reference to `dcopy_' lapack_double.f:(.text+0x32b2e): undefined reference to `dasum_' lapack_double.f:(.text+0x32bbf): undefined reference to `dscal_' lapack_double.f:(.text+0x32cf1): undefined reference to `ddot_' lapack_double.f:(.text+0x32d79): undefined reference to `daxpy_' lapack_double.f:(.text+0x32db3): undefined reference to `idamax_' lapack_double.f:(.text+0x32e55): undefined reference to `dnrm2_' lapack_double.f:(.text+0x32ead): undefined reference to `idamax_' lapack_double.f:(.text+0x32f23): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dpotrf_': lapack_double.f:(.text+0x33baa): undefined reference to `dsyrk_' lapack_double.f:(.text+0x33d08): undefined reference to `dgemm_' lapack_double.f:(.text+0x33dda): undefined reference to `dtrsm_' lapack_double.f:(.text+0x33eff): undefined reference to `dsyrk_' lapack_double.f:(.text+0x3405f): undefined reference to `dgemm_' lapack_double.f:(.text+0x3412d): undefined reference to `dtrsm_' ../vasp.5.lib/lapack_double.o: In function `dsygst_': lapack_double.f:(.text+0x3455c): undefined reference to `dtrsm_' lapack_double.f:(.text+0x3464b): undefined reference to `dsymm_' lapack_double.f:(.text+0x34741): undefined reference to `dsyr2k_' lapack_double.f:(.text+0x34830): undefined reference to `dsymm_' lapack_double.f:(.text+0x3490e): undefined reference to `dtrsm_' lapack_double.f:(.text+0x34b09): undefined reference to `dtrsm_' lapack_double.f:(.text+0x34bf6): undefined reference to `dsymm_' lapack_double.f:(.text+0x34cea): undefined reference to `dsyr2k_' lapack_double.f:(.text+0x34dd7): undefined reference to `dsymm_' lapack_double.f:(.text+0x34eb4): undefined reference to `dtrsm_' lapack_double.f:(.text+0x34fdb): undefined reference to `dtrmm_' lapack_double.f:(.text+0x3509f): undefined reference to `dsymm_' lapack_double.f:(.text+0x35144): undefined reference to `dsyr2k_' lapack_double.f:(.text+0x35208): undefined reference to `dsymm_' lapack_double.f:(.text+0x352bf): undefined reference to `dtrmm_' lapack_double.f:(.text+0x35463): undefined reference to `dtrmm_' lapack_double.f:(.text+0x3552b): undefined reference to `dsymm_' lapack_double.f:(.text+0x355d6): undefined reference to `dsyr2k_' lapack_double.f:(.text+0x3569e): undefined reference to `dsymm_' lapack_double.f:(.text+0x35757): undefined reference to `dtrmm_' ../vasp.5.lib/lapack_double.o: In function `dsyev_': lapack_double.f:(.text+0x35ef6): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dtrti2_': lapack_double.f:(.text+0x361b0): undefined reference to `dtrmv_' lapack_double.f:(.text+0x361f5): undefined reference to `dscal_' lapack_double.f:(.text+0x36378): undefined reference to `dtrmv_' lapack_double.f:(.text+0x363c9): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dggbal_': lapack_double.f:(.text+0x36b55): undefined reference to `dswap_' lapack_double.f:(.text+0x36bd5): undefined reference to `dswap_' lapack_double.f:(.text+0x36c51): undefined reference to `dswap_' lapack_double.f:(.text+0x36cac): undefined reference to `dswap_' lapack_double.f:(.text+0x37104): undefined reference to `ddot_' lapack_double.f:(.text+0x37168): undefined reference to `ddot_' lapack_double.f:(.text+0x37375): undefined reference to `dscal_' lapack_double.f:(.text+0x373ad): undefined reference to `dscal_' lapack_double.f:(.text+0x37402): undefined reference to `daxpy_' lapack_double.f:(.text+0x37452): undefined reference to `daxpy_' lapack_double.f:(.text+0x37814): undefined reference to `ddot_' lapack_double.f:(.text+0x37870): undefined reference to `ddot_' lapack_double.f:(.text+0x37a87): undefined reference to `daxpy_' lapack_double.f:(.text+0x37af7): undefined reference to `daxpy_' lapack_double.f:(.text+0x37c8b): undefined reference to `idamax_' lapack_double.f:(.text+0x37d31): undefined reference to `idamax_' lapack_double.f:(.text+0x37f1f): undefined reference to `idamax_' lapack_double.f:(.text+0x37f94): undefined reference to `idamax_' lapack_double.f:(.text+0x381db): undefined reference to `dscal_' lapack_double.f:(.text+0x3823b): undefined reference to `dscal_' lapack_double.f:(.text+0x382ba): undefined reference to `dscal_' lapack_double.f:(.text+0x382ff): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dgghrd_': lapack_double.f:(.text+0x38f1e): undefined reference to `drot_' lapack_double.f:(.text+0x38faa): undefined reference to `drot_' lapack_double.f:(.text+0x3901c): undefined reference to `drot_' lapack_double.f:(.text+0x39148): undefined reference to `drot_' lapack_double.f:(.text+0x391bb): undefined reference to `drot_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x3922e): more undefined references to `drot_' follow ../vasp.5.lib/lapack_double.o: In function `dtgevc_': lapack_double.f:(.text+0x422fd): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o: In function `dggbak_': lapack_double.f:(.text+0x44df6): undefined reference to `dscal_' lapack_double.f:(.text+0x44e6c): undefined reference to `dscal_' lapack_double.f:(.text+0x44f85): undefined reference to `dswap_' lapack_double.f:(.text+0x45043): undefined reference to `dswap_' lapack_double.f:(.text+0x45100): undefined reference to `dswap_' lapack_double.f:(.text+0x451be): undefined reference to `dswap_' ../vasp.5.lib/lapack_double.o: In function `dgetf2_': lapack_double.f:(.text+0x4530e): undefined reference to `idamax_' lapack_double.f:(.text+0x453c9): undefined reference to `dswap_' lapack_double.f:(.text+0x45460): undefined reference to `dscal_' lapack_double.f:(.text+0x4554e): undefined reference to `dger_' ../vasp.5.lib/lapack_double.o: In function `zstein_': lapack_double.f:(.text+0x46226): undefined reference to `dcopy_' lapack_double.f:(.text+0x4626d): undefined reference to `dcopy_' lapack_double.f:(.text+0x462b3): undefined reference to `dcopy_' lapack_double.f:(.text+0x4635f): undefined reference to `dasum_' lapack_double.f:(.text+0x463f0): undefined reference to `dscal_' lapack_double.f:(.text+0x46640): undefined reference to `idamax_' lapack_double.f:(.text+0x466e5): undefined reference to `dnrm2_' lapack_double.f:(.text+0x4673d): undefined reference to `idamax_' lapack_double.f:(.text+0x467b3): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `zgetf2_': lapack_double.f:(.text+0x4740f): undefined reference to `izamax_' lapack_double.f:(.text+0x4752b): undefined reference to `zswap_' lapack_double.f:(.text+0x4766b): undefined reference to `zscal_' lapack_double.f:(.text+0x47766): undefined reference to `zgeru_' ../vasp.5.lib/lapack_double.o: In function `ztrtri_': lapack_double.f:(.text+0x4816f): undefined reference to `ztrmm_' lapack_double.f:(.text+0x48226): undefined reference to `ztrsm_' lapack_double.f:(.text+0x4842d): undefined reference to `ztrmm_' lapack_double.f:(.text+0x48506): undefined reference to `ztrsm_' ../vasp.5.lib/lapack_double.o: In function `zggbal_': lapack_double.f:(.text+0x491ff): undefined reference to `zswap_' lapack_double.f:(.text+0x49285): undefined reference to `zswap_' lapack_double.f:(.text+0x49301): undefined reference to `zswap_' lapack_double.f:(.text+0x4935c): undefined reference to `zswap_' lapack_double.f:(.text+0x4998c): undefined reference to `ddot_' lapack_double.f:(.text+0x499f0): undefined reference to `ddot_' lapack_double.f:(.text+0x49bfd): undefined reference to `dscal_' lapack_double.f:(.text+0x49c35): undefined reference to `dscal_' lapack_double.f:(.text+0x49c8a): undefined reference to `daxpy_' lapack_double.f:(.text+0x49cda): undefined reference to `daxpy_' lapack_double.f:(.text+0x4a228): undefined reference to `ddot_' lapack_double.f:(.text+0x4a284): undefined reference to `ddot_' lapack_double.f:(.text+0x4a49b): undefined reference to `daxpy_' lapack_double.f:(.text+0x4a50b): undefined reference to `daxpy_' lapack_double.f:(.text+0x4a6a2): undefined reference to `izamax_' lapack_double.f:(.text+0x4a7a1): undefined reference to `izamax_' lapack_double.f:(.text+0x4aa01): undefined reference to `izamax_' lapack_double.f:(.text+0x4aabf): undefined reference to `izamax_' lapack_double.f:(.text+0x4ad62): undefined reference to `zdscal_' lapack_double.f:(.text+0x4adcb): undefined reference to `zdscal_' lapack_double.f:(.text+0x4ae4a): undefined reference to `zdscal_' lapack_double.f:(.text+0x4ae8f): undefined reference to `zdscal_' ../vasp.5.lib/lapack_double.o: In function `zhgeqz_': lapack_double.f:(.text+0x4ca4d): undefined reference to `zscal_' lapack_double.f:(.text+0x4ca8e): undefined reference to `zscal_' lapack_double.f:(.text+0x4cbef): undefined reference to `zscal_' lapack_double.f:(.text+0x4ea4d): undefined reference to `zscal_' lapack_double.f:(.text+0x4eab9): undefined reference to `zscal_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x4ec35): more undefined references to `zscal_' follow ../vasp.5.lib/lapack_double.o: In function `ztgevc_': lapack_double.f:(.text+0x559cc): undefined reference to `zgemv_' lapack_double.f:(.text+0x57a4c): undefined reference to `zgemv_' ../vasp.5.lib/lapack_double.o: In function `zggbak_': lapack_double.f:(.text+0x58149): undefined reference to `zdscal_' lapack_double.f:(.text+0x581c4): undefined reference to `zdscal_' lapack_double.f:(.text+0x582e7): undefined reference to `zswap_' lapack_double.f:(.text+0x583af): undefined reference to `zswap_' lapack_double.f:(.text+0x58476): undefined reference to `zswap_' lapack_double.f:(.text+0x5853e): undefined reference to `zswap_' ../vasp.5.lib/lapack_double.o: In function `zhegv_': lapack_double.f:(.text+0x58cba): undefined reference to `ztrsm_' lapack_double.f:(.text+0x58d66): undefined reference to `ztrmm_' ../vasp.5.lib/lapack_double.o: In function `dsyevx_': lapack_double.f:(.text+0x595ea): undefined reference to `dscal_' lapack_double.f:(.text+0x59668): undefined reference to `dscal_' lapack_double.f:(.text+0x5982e): undefined reference to `dcopy_' lapack_double.f:(.text+0x59896): undefined reference to `dcopy_' lapack_double.f:(.text+0x599b3): undefined reference to `dcopy_' lapack_double.f:(.text+0x59d3a): undefined reference to `dscal_' lapack_double.f:(.text+0x59ef9): undefined reference to `dswap_' ../vasp.5.lib/lapack_double.o: In function `dsygv_': lapack_double.f:(.text+0x5a3d2): undefined reference to `dtrsm_' lapack_double.f:(.text+0x5a47e): undefined reference to `dtrmm_' ../vasp.5.lib/lapack_double.o: In function `dtrtri_': lapack_double.f:(.text+0x5a8a6): undefined reference to `dtrmm_' lapack_double.f:(.text+0x5a95a): undefined reference to `dtrsm_' lapack_double.f:(.text+0x5ab52): undefined reference to `dtrmm_' lapack_double.f:(.text+0x5ac25): undefined reference to `dtrsm_' ../vasp.5.lib/lapack_double.o: In function `dgetrf_': lapack_double.f:(.text+0x5d14e): undefined reference to `dtrsm_' lapack_double.f:(.text+0x5d26b): undefined reference to `dgemm_' ../vasp.5.lib/lapack_double.o: In function `dgetrs_': lapack_double.f:(.text+0x5d4c5): undefined reference to `dtrsm_' lapack_double.f:(.text+0x5d541): undefined reference to `dtrsm_' lapack_double.f:(.text+0x5d5c2): undefined reference to `dtrsm_' lapack_double.f:(.text+0x5d63b): undefined reference to `dtrsm_' ../vasp.5.lib/lapack_double.o: In function `zheevx_': lapack_double.f:(.text+0x5dfad): undefined reference to `zdscal_' lapack_double.f:(.text+0x5e02f): undefined reference to `zdscal_' lapack_double.f:(.text+0x5e1fe): undefined reference to `dcopy_' lapack_double.f:(.text+0x5e266): undefined reference to `dcopy_' lapack_double.f:(.text+0x5e389): undefined reference to `dcopy_' lapack_double.f:(.text+0x5e717): undefined reference to `dscal_' lapack_double.f:(.text+0x5e8e2): undefined reference to `zswap_' ../vasp.5.lib/lapack_double.o: In function `zgetrf_': lapack_double.f:(.text+0x5ee13): undefined reference to `ztrsm_' lapack_double.f:(.text+0x5ef39): undefined reference to `zgemm_' ../vasp.5.lib/lapack_double.o: In function `zgetri_': lapack_double.f:(.text+0x5f42d): undefined reference to `zgemv_' lapack_double.f:(.text+0x5f732): undefined reference to `zgemm_' lapack_double.f:(.text+0x5f7cc): undefined reference to `ztrsm_' lapack_double.f:(.text+0x5f868): undefined reference to `zswap_' ../vasp.5.lib/lapack_double.o: In function `zgetrs_': lapack_double.f:(.text+0x5fae3): undefined reference to `ztrsm_' lapack_double.f:(.text+0x5fb5f): undefined reference to `ztrsm_' lapack_double.f:(.text+0x5fbdf): undefined reference to `ztrsm_' lapack_double.f:(.text+0x5fc57): undefined reference to `ztrsm_' ../vasp.5.lib/lapack_double.o: In function `dbdsqr_': lapack_double.f:(.text+0x6ae66): undefined reference to `drot_' lapack_double.f:(.text+0x6aee0): undefined reference to `drot_' lapack_double.f:(.text+0x6af5c): undefined reference to `drot_' lapack_double.f:(.text+0x6cac0): undefined reference to `dscal_' lapack_double.f:(.text+0x6cc25): undefined reference to `dswap_' lapack_double.f:(.text+0x6cc96): undefined reference to `dswap_' lapack_double.f:(.text+0x6cd09): undefined reference to `dswap_' ../vasp.5.lib/lapack_double.o: In function `dgebrd_': lapack_double.f:(.text+0x6dba4): undefined reference to `dgemm_' lapack_double.f:(.text+0x6dc93): undefined reference to `dgemm_' ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x6dfdc): undefined reference to `dgemv_' lapack_double.f:(.text+0x6e0a4): undefined reference to `dgemv_' lapack_double.f:(.text+0x6e286): undefined reference to `dgemv_' lapack_double.f:(.text+0x6e35a): undefined reference to `dgemv_' lapack_double.f:(.text+0x6e428): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x6e4fc): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x6e629): undefined reference to `dscal_' lapack_double.f:(.text+0x6e6ef): undefined reference to `dgemv_' lapack_double.f:(.text+0x6e7c3): undefined reference to `dgemv_' lapack_double.f:(.text+0x6e991): undefined reference to `dgemv_' lapack_double.f:(.text+0x6ea50): undefined reference to `dgemv_' lapack_double.f:(.text+0x6eb0b): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x6ebd2): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x6ecec): undefined reference to `dscal_' lapack_double.f:(.text+0x6ede6): undefined reference to `dgemv_' lapack_double.f:(.text+0x6eeae): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f08e): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f163): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f231): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x6f304): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x6f430): undefined reference to `dscal_' lapack_double.f:(.text+0x6f501): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f5c2): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f783): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f845): undefined reference to `dgemv_' lapack_double.f:(.text+0x6f907): undefined reference to `dgemv_' ../vasp.5.lib/lapack_double.o:lapack_double.f:(.text+0x6f9c2): more undefined references to `dgemv_' follow ../vasp.5.lib/lapack_double.o: In function `dlabrd_': lapack_double.f:(.text+0x6fad6): undefined reference to `dscal_' ../vasp.5.lib/lapack_double.o: In function `dlasq1_': lapack_double.f:(.text+0x7012d): undefined reference to `dcopy_' lapack_double.f:(.text+0x70168): undefined reference to `dcopy_' ../vasp.5.lib/lapack_double.o: In function `dorgl2_': lapack_double.f:(.text+0x75223): undefined reference to `dscal_' make: *** [vasp] Error 1 帖子http://www.gaoyang168.com/html/201111/3835902.html也有人求助這個錯誤，但是我還是不太明白怎么做。還求大神多多指導啊:cry::cry: |
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感謝參與，應(yīng)助指數(shù) +1
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|
BLAS=-L/opt/intel/Compiler/11.1/046/mkl/lib/32 -Imkl_intel -Imkl_core -Imkl_sequential -Ipthread 寫錯了，后面不是 -I，是小寫L |
3樓2014-10-10 21:27:53
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makefile文件如下： .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=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) # tbdyn MD package of Tomas Bucko #----------------------------------------------------------------------- CPP = $(CPP_) -DHOST=\"LinuxIFC\" \ -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc -DNGXhalf \ # -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 #----------------------------------------------------------------------- # 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=-O2 -ip -ftz 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/Compiler/11.1/046/mkl/lib/32 -Imkl_intel -Imkl_core -Imkl_sequential -Ipthread # 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= /opt/libs/libgoto/libgoto.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) \ $(BLAS) # options for linking, nothing is required (usually) LINK = #----------------------------------------------------------------------- # fft libraries: # VASP.5.2 can use fftw.3.1.X (http://www.fftw.org) # since this version is faster on P4 machines, we recommend to use it #----------------------------------------------------------------------- FFT3D = fft3dfurth.o fft3dlib.o # alternatively: fftw.3.1.X is slighly faster and should be used if available #FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.1.2/lib/libfftw3.a #======================================================================= # MPI section, uncomment the following lines until # general rules and compile lines # presently we recommend OPENMPI, since it seems to offer better # performance than lam or mpich # # !!! Please do not send me any queries on how to install MPI, I will # certainly not answer them !!!! #======================================================================= #----------------------------------------------------------------------- # fortran linker for mpi #----------------------------------------------------------------------- #FC=mpif77 #FCL=$(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) # 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) # tbdyn MD package of Tomas Bucko #----------------------------------------------------------------------- #----------------------------------------------------------------------- #CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \ # -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf \ # -DMPI_BLOCK=8000 ## -DRPROMU_DGEMV -DRACCMU_DGEMV #----------------------------------------------------------------------- # location of SCALAPACK # if you do not use SCALAPACK simply leave that section commented out #----------------------------------------------------------------------- #BLACS=$(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 #FFT3D = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o /opt/libs/fftw-3.1.2/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 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 \ $(BASIC) 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 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 \ 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 dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcefield.o \ hamil_high.o nmr.o pead.o mlwf.o subrot.o subrot_scf.o \ force.o pwlhf.o gw_model.o optreal.o davidson.o david_inner.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_te.o bse.o acfdt.o chi.o sydmat.o dmft.o \ rmm-diis_mlr.o linear_response_NMR.o 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.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) fftw3d.o : fftw3d.F $(CPP) $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) wave_high.o : wave_high.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) |
2樓2014-10-10 20:33:46
nx_2003
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4樓2017-03-22 10:36:15
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