| 查看: 2289 | 回复: 16 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
bird007荣誉版主 (职业作家)
踩单车的季节
|
[交流]
【求助】vasp编译问题 BLAS 已有6人参与
|
||
|
我用的是ifort and intel mkl，32位单机 makefile里面的BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread是什么意思呀 在这个目录理没有-lmkl_p4 -lpthread 编译出现如下错误 请高手赐教 rm -f vasp ifort -o vasp main.o 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 setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.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 dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fftw3d.o fft3dlib.o /usr/local/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o -L/opt/intel/mkl/10.2.4.032/lib/32 -lmkl_p4 -lguide -lpthread -L/opt/intel/mkl/10.2.4.032/lib/32 -lmkl_p4 -lguide -lpthread radial.o: In function `radial_mp_aug_setq_': radial.f90:(.text+0xbdfd): undefined reference to `dgetrf_' radial.f90:(.text+0xbe2c): undefined reference to `dgetrs_' nonl.o: In function `nonl_mp_vnlac0_.': nonlr.f90:(.text+0x2442): undefined reference to `dgemm_' nonlr.o: In function `nonlr_mp_racc0_.': nonlr.f90:(.text+0x2a02): undefined reference to `dgemv_' nonlr.f90:(.text+0x2a59): undefined reference to `dgemv_' nonlr.o: In function `nonlr_mp_rpromu_.': ......... dfast.o: In function `dfast_mp_orthon_': dfast.f90:(.text+0x78a): undefined reference to `zgemv_' dfast.f90:(.text+0x835): undefined reference to `zgemv_' dfast.f90:(.text+0x8de): undefined reference to `zgemm_' dfast.f90:(.text+0x99c): undefined reference to `zgemm_' ............ dfast.o:dfast.f90:(.text+0x30cf): more undefined references to `zgemm_' follow choleski2.o: In function `choleski_mp_orthch_': choleski2.f90:(.text+0x87e): undefined reference to `zpotrf_' choleski2.f90:(.text+0x8b7): undefined reference to `ztrtri_' LDApU.o: In function `ldaplusu_module_mp_ldaplusu_printocc_': LDApU.f90:(.text+0xb215): undefined reference to `zheev_' wavpre.o: In function `mwavpre_mp_wavpre_': wavpre.f90:(.text+0x170b): undefined reference to `zdotc_' wavpre.f90:(.text+0x1740): undefined reference to `zdotc_' wavpre.f90:(.text+0x4784): undefined reference to `zgemm_' wavpre.f90:(.text+0x48d9): undefined reference to `zheev_' wavpre.f90:(.text+0x4b19): undefined reference to `zgemm_' wavpre.f90:(.text+0x4c9d): undefined reference to `zgemm_' wavpre.f90:(.text+0x6f18): undefined reference to `zdotc_' wavpre.f90:(.text+0x6f68): undefined reference to `zdotc_' wavpre_noio.o: In function `mwavpre_noio_mp_wavpre_noio_': wavpre_noio.f90:(.text+0x4805): undefined reference to `zgemm_' wavpre_noio.f90:(.text+0x4aa2): undefined reference to `zheevx_' wavpre_noio.f90:(.text+0x4db7): undefined reference to `zgemm_' wavpre_noio.f90:(.text+0x4f41): undefined reference to `zgemm_' wavpre_noio.f90:(.text+0x6440): undefined reference to `zdotc_' wavpre_noio.f90:(.text+0x64a4): undefined reference to `zdotc_' wavpre_noio.f90:(.text+0x8fe3): undefined reference to `zdotc_' wavpre_noio.f90:(.text+0x9096): undefined reference to `zdotc_' broyden.o: In function `broyden_mp_broyd_.': broyden.f90:(.text+0x3e05): undefined reference to `dgegv_' dynbr.o: In function `brzero_.': dynbr.f90:(.text+0x2539): undefined reference to `dgegv_' rmm-diis.o: In function `rmm_diis_mp_eddrmm_': rmm-diis.f90:(.text+0x4428): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x4564): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x4664): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x48f7): undefined reference to `zhegv_' rmm-diis.f90:(.text+0x5454): undefined reference to `zgemv_' rmm-diis.f90:(.text+0x5669): undefined reference to `zgemv_' subrot.o: In function `subrot_mp_eddiag_': subrot.f90:(.text+0x1626): undefined reference to `zhegv_' subrot.f90:(.text+0x17ab): undefined reference to `zheevx_' optreal.o: In function `optreal_': optreal.f90:(.text+0x1092): undefined reference to `dgetrf_' optreal.f90:(.text+0x10ca): undefined reference to `dgetrs_' optreal.o: In function `optreal_new_': optreal.f90:(.text+0x4111): undefined reference to `dgetrf_' optreal.f90:(.text+0x4149): undefined reference to `dgetrs_' davidson.o: In function `david_mp_eddav_': davidson.f90:(.text+0x3732): undefined reference to `zhegv_' davidson.f90:(.text+0x3b1d): undefined reference to `zgemm_' davidson.f90:(.text+0x3bea): undefined reference to `zgemm_' davidson.f90:(.text+0x51c2): undefined reference to `zgemm_' davidson.f90:(.text+0x5278): undefined reference to `zgemm_' davidson.f90:(.text+0x5f9a): undefined reference to `zheevx_' optics.o: In function `nabij_soft_.': optics.f90:(.text+0x2ebe): undefined reference to `zgemm_' finite_diff.o: In function `finite_differences_mp_finite_diff_': finite_diff.f90:(.text+0x3a56): undefined reference to `dsyev_' ../vasp.4.lib/linpack_double.o: In function `zgefa_': linpack_double.f:(.text+0x9a): undefined reference to `izamax_' linpack_double.f:(.text+0x51c): undefined reference to `zscal_' linpack_double.f:(.text+0x78e): undefined reference to `zaxpy_' ../vasp.4.lib/linpack_double.o: In function `zgeco_': linpack_double.f:(.text+0x977): undefined reference to `dzasum_' linpack_double.f:(.text+0x4535): undefined reference to `zswap_' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_s_ft_nn_nd' ........... [ Last edited by bird007 on 2010-4-18 at 19:44 ] |
回复此楼» 猜你喜欢
» 本主题相关价值贴推荐，对您同样有帮助:
安装vasp时，出现如下错误，应该怎么解决，求助？
已经有5人回复
- vasp 编译主程序时候出错，求好心人看一下
已经有17人回复
- vasp串行，并行编译成功，但很奇怪。
已经有23人回复
- vasp5.2 并行编译 BLAS问题 求助
已经有4人回复
- vasp接口wannier90计算问题
已经有24人回复
- 关于 VASP 的编译经验分享
已经有16人回复
- MS VS Vasp
已经有12人回复
- vasp5.2.2计算大体系出错
已经有9人回复
- 求助vasp编译好后无法运行问题？？
已经有24人回复
- 编译vasp主程序时，makefile中的链接库选择问题
已经有15人回复
- vasp5.2 openmpi+intel+mkl编译，能量正值问题
已经有7人回复
- vsap 5.2 环境和编译问题
已经有14人回复
- 用GotoBLAS2编译VASP成功，换成mkl的BLAS则编译失败
已经有3人回复
- 【求助】VASP 编译出错
已经有24人回复
zzy870720z
荣誉版主 (文坛精英)
- 1ST强帖: 3
- 应助: 47 (小学生)
- 贵宾: 9.05
- 金币: 30914.3
- 散金: 5613
- 红花: 68
- 沙发: 99
- 帖子: 12592
- 在线: 23567.6小时
- 虫号: 745488
- 注册: 2009-04-10
- 性别: GG
- 专业: 凝聚态物性I:结构、力学和
- 管辖: 分子模拟
9楼2010-04-18 19:54:03
bird007
荣誉版主 (职业作家)
踩单车的季节
- 应助: 10 (幼儿园)
- 贵宾: 6.35
- 金币: 17460.5
- 散金: 5019
- 红花: 48
- 沙发: 1
- 帖子: 4641
- 在线: 656.1小时
- 虫号: 21919
- 注册: 2003-08-29
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
|
.......... /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_blas_zaxpy' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_dft_commit_descriptor_d_c2c_1d_omp' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_dft_commit_descriptor_d_r2c_1d_omp' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_d_ft_nn_dd' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_s_inv_ft_nn_nd' /opt/intel/mkl/10.2.4.032/lib/32/libmkl_p4.so: undefined reference to `mkl_pdepl_s_lu_3d_dn' [ Last edited by bird007 on 2010-4-18 at 19:45 ] |
2楼2010-04-18 17:06:39
3楼2010-04-18 19:15:26
zzy870720z
荣誉版主 (文坛精英)
- 1ST强帖: 3
- 应助: 47 (小学生)
- 贵宾: 9.05
- 金币: 30914.3
- 散金: 5613
- 红花: 68
- 沙发: 99
- 帖子: 12592
- 在线: 23567.6小时
- 虫号: 745488
- 注册: 2009-04-10
- 性别: GG
- 专业: 凝聚态物性I:结构、力学和
- 管辖: 分子模拟
4楼2010-04-18 19:17:50
