 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2061 | 回復(fù): 6 | |||
| 當(dāng)前只顯示滿足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖 | |||
ddr6021023至尊木蟲 (著名寫手)
|
[求助]
編譯vasp5.2時(shí)出錯(cuò)，清大家看看什么原因
|
||
|
編譯vasp5。2的時(shí)候出錯(cuò)的，出錯(cuò)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] 錯(cuò)誤 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) 情哪位幫我看看是什么原因好么？？ |
回復(fù)此樓» 收錄本帖的淘帖專輯推薦
 vasp編譯問題集錦 |
» 猜你喜歡
本人考085602 化學(xué)工程 專碩
已經(jīng)有23人回復(fù)
-
求調(diào)劑院校信息
已經(jīng)有4人回復(fù)
-
085600材料與化工306
已經(jīng)有4人回復(fù)
-
286求調(diào)劑
已經(jīng)有10人回復(fù)
-
328求調(diào)劑，英語六級(jí)551，有科研經(jīng)歷
已經(jīng)有9人回復(fù)
-
一志愿北京化工大學(xué)070300 學(xué)碩336求調(diào)劑
已經(jīng)有4人回復(fù)
-
286分人工智能專業(yè)請(qǐng)求調(diào)劑愿意跨考！
已經(jīng)有8人回復(fù)
-
資源與環(huán)境 調(diào)劑申請(qǐng)(333分)
已經(jīng)有5人回復(fù)
-
280求調(diào)劑
已經(jīng)有12人回復(fù)
-
269專碩求調(diào)劑
已經(jīng)有5人回復(fù)
» 本主題相關(guān)價(jià)值貼推薦，對(duì)您同樣有幫助:
- 請(qǐng)大家?guī)臀铱纯催@個(gè)雜志是不是SCI的？
已經(jīng)有3人回復(fù)
- 不同功能vasp的編譯
已經(jīng)有4人回復(fù)
- vasp4.6收斂的結(jié)構(gòu)在vasp5.2 計(jì)算不收斂
已經(jīng)有7人回復(fù)
- 急問 現(xiàn)在哪里的計(jì)算中心有vasp5.2.12？
已經(jīng)有6人回復(fù)
- 緊急求助vasp5.2 計(jì)算氧化鈰表面吸附遇到的若干問題
已經(jīng)有4人回復(fù)
- vasp5.2 編譯出錯(cuò)了。。。。。。。
已經(jīng)有7人回復(fù)
- 編譯vasp5.2 錯(cuò)誤
已經(jīng)有7人回復(fù)
- 單機(jī)并行編譯vasp5.2完成，試用出錯(cuò)
已經(jīng)有5人回復(fù)
- 【求助】關(guān)于vasp5.2計(jì)算色散力
已經(jīng)有5人回復(fù)
- 【求助】大家看看，matlab安裝過程的截圖，找出錯(cuò)
已經(jīng)有14人回復(fù)
- 鎖帖
已經(jīng)有33人回復(fù)
- 【原創(chuàng)】用pgi10.0編譯vasp5.2
已經(jīng)有12人回復(fù)
ddr6021023
至尊木蟲 (著名寫手)
- 應(yīng)助: 33 (小學(xué)生)
- 金幣: 18822.1
- 散金: 1880
- 紅花: 10
- 帖子: 2796
- 在線: 1251.1小時(shí)
- 蟲號(hào): 1400276
- 注冊(cè): 2011-09-13
- 性別: GG
- 專業(yè): 電化學(xué)
5樓2011-11-24 19:37:15
hnuzhoulin
金蟲 (小有名氣)
- 1ST強(qiáng)帖: 1
- 應(yīng)助: 7 (幼兒園)
- 金幣: 1202.8
- 紅花: 6
- 帖子: 265
- 在線: 49小時(shí)
- 蟲號(hào): 778409
- 注冊(cè): 2009-05-24
- 性別: GG
- 專業(yè): 計(jì)算機(jī)應(yīng)用技術(shù)
3樓2011-11-21 16:49:05
4樓2011-11-24 09:24:05
dxf_dxf_dxf
銀蟲 (小有名氣)
- 1ST強(qiáng)帖: 4
- 應(yīng)助: 15 (小學(xué)生)
- 金幣: 269.1
- 紅花: 3
- 帖子: 104
- 在線: 29.1小時(shí)
- 蟲號(hào): 1449737
- 注冊(cè): 2011-10-19
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
6樓2012-04-12 15:54:40
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研]
 一志愿東華大學(xué)控制學(xué)碩320求調(diào)劑
+3
|
Grand777 2026-03-21 | 3/150 |
|
|---|---|---|---|---|
|
|
[考研] 326求調(diào)劑 +4 | mlpqaz03 2026-03-15 | 4/200 |
|
|
[基金申請(qǐng)] 山東省面上項(xiàng)目限額評(píng)審 +3 | 石瑞0426 2026-03-19 | 3/150 |
|
|
|
[考研] 298求調(diào)劑 +4 | 上岸6666@ 2026-03-20 | 4/200 |
|
|
|
[考研] 306求0703調(diào)劑一志愿華中師范 +5 | 紙魚ly 2026-03-21 | 5/250 |
|
|
|
[考研] 266求調(diào)劑 +3 | 哇呼哼呼哼 2026-03-20 | 3/150 |
|
|
|
[考研] 生物學(xué)一志愿985，分?jǐn)?shù)349求調(diào)劑 +3 | zxts12 2026-03-21 | 3/150 |
|
|
|
[考研] 材料與化工（0856）304求 B區(qū) 調(diào)劑 +3 | 邱gl 2026-03-21 | 3/150 |
|
|
|
[考研] 0856材料專碩353求調(diào)劑 +3 | NIFFFfff 2026-03-20 | 3/150 |
|
|
|
[考研] 085601調(diào)劑 358分 +3 | zzzzggh 2026-03-20 | 4/200 |
|
|
|
[考研] 機(jī)械專碩299求調(diào)劑至材料 +3 | kkcoco25 2026-03-16 | 4/200 |
|
|
|
[考研] 265求調(diào)劑 +9 | 梁梁校校 2026-03-17 | 9/450 |
|
|
|
[考研] 求調(diào)劑 +3 | Ma_xt 2026-03-17 | 3/150 |
|
|
|
[考研] 材料 336 求調(diào)劑 +3 | An@. 2026-03-18 | 4/200 |
|
|
|
[考研] 一志愿西南交通 專碩 材料355 本科雙非 求調(diào)劑 +5 | 西南交通專材355 2026-03-19 | 5/250 |
|
|
|
[考研] 求調(diào)劑 +3 | eation27 2026-03-20 | 3/150 |
|
|
|
[考研] 281求調(diào)劑（0805） +14 | 煙汐憶海 2026-03-16 | 25/1250 |
|
|
|
[考研] 本科鄭州大學(xué)物理學(xué)院，一志愿華科070200學(xué)碩，346求調(diào)劑 +4 | 我不是一根蔥 2026-03-18 | 4/200 |
|
|
|
[考研] 275求調(diào)劑 +4 | 太陽花天天開心 2026-03-16 | 4/200 |
|
|
|
[考研] 327求調(diào)劑 +6 | 拾光任染 2026-03-15 | 11/550 |
|