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emilyoyang木蟲 (正式寫手)
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[求助]
Vasp并行編譯出錯(cuò)
|
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安裝Vasp5.2總是出現(xiàn)下面問題,什么原因? 該怎么辦 謝謝! main.o: In function `MAIN__': main.f90:(.text+0x3596): undefined reference to `rdatab_' main.f90:(.text+0x1ef9c): undefined reference to `rdatab_' main.f90:(.text+0x1f2c9): undefined reference to `rdatab_' main.f90:(.text+0x2195b): undefined reference to `wforce_' main.f90:(.text+0x230d4): undefined reference to `rdatab_' main.f90:(.text+0x34636): undefined reference to `wforce_' main.f90:(.text+0x35328): undefined reference to `wforce_' main.f90:(.text+0x35825): undefined reference to `wforce_' main.f90:(.text+0x364e6): undefined reference to `wforce_' main.f90:(.text+0x3915d): undefined reference to `wforce_' main.f90:(.text+0x39ba9): undefined reference to `reopen_' main.f90:(.text+0x3a638): undefined reference to `reopen_' main.f90:(.text+0x3aeef): undefined reference to `wforce_' xml.o: In function `vaspxml_mp_xml_flush_': xml.f90:(.text+0x768): undefined reference to `wforce_' main_mpi.o: In function `main_mpi_mp_init_mpi_': main_mpi.f90:(.text+0xbe): undefined reference to `rdatab_' main_mpi.f90:(.text+0x1b1): undefined reference to `rdatab_' main_mpi.f90:(.text+0x2b0): undefined reference to `rdatab_' main_mpi.f90:(.text+0x449): undefined reference to `rdatab_' poscar.o: In function `poscar_mp_rd_poscar_head_': poscar.f90:(.text+0x1ef): undefined reference to `nitems_' poscar.f90:(.text+0x724): undefined reference to `nitems_' poscar.f90:(.text+0x7a3): undefined reference to `nitems_' poscar.f90:(.text+0x9d2): undefined reference to `nitems_' poscar.f90:(.text+0xdb9): undefined reference to `nitems_' poscar.o:poscar.f90:(.text+0x154d): more undefined references to `nitems_' follow poscar.o: In function `poscar_mp_outpos_trail_': poscar.f90:(.text+0x5dcf): undefined reference to `reopen_' pseudo.o: In function `pseudo_mp_rdpars_': pseudo.f90:(.text+0x617b): undefined reference to `length_' nonlr.o: In function `nonlr_mp_lreal_compat_mode_': nonlr.f90:(.text+0xea): undefined reference to `rdatab_' constrmag.o: In function `constrained_m_modular_mp_constrained_m_reader_': constrmag.f90:(.text+0x13b): undefined reference to `rdatab_' constrmag.f90:(.text+0x44f): undefined reference to `rdatab_' constrmag.f90:(.text+0x6d7): undefined reference to `rdatab_' constrmag.f90:(.text+0xd77): undefined reference to `rdatab_' cl_shift.o:cl_shift.f90:(.text+0x105): more undefined references to `rdatab_' follow core_rel.o: In function `core_rel_mp_init_core_rel_': core_rel.f90:(.text+0x44c2): undefined reference to `strip_' core_rel.f90:(.text+0x45d6): undefined reference to `rdatab_' core_rel.f90:(.text+0x46fc): undefined reference to `rdatab_' core_rel.f90:(.text+0x4822): undefined reference to `rdatab_' core_rel.f90:(.text+0x4953): undefined reference to `rdatab_' core_rel.f90:(.text+0x4a7f): undefined reference to `rdatab_' core_rel.o:core_rel.f90:(.text+0x4ba5): more undefined references to `rdatab_' follow reader.o: In function `reader_': reader.f90:(.text+0x284): undefined reference to `strip_' reader.f90:(.text+0x36b): undefined reference to `rdatab_' reader.f90:(.text+0x4f9): undefined reference to `rdatab_' reader.f90:(.text+0x6d0): undefined reference to `rdatab_' reader.f90:(.text+0x763): undefined reference to `strip_' reader.f90:(.text+0x774): undefined reference to `lower_' reader.f90:(.text+0x899): undefined reference to `rdatab_' reader.f90:(.text+0xa3e): undefined reference to `rdatab_' reader.f90:(.text+0xb29): undefined reference to `strip_' reader.f90:(.text+0xb3a): undefined reference to `lower_' reader.f90:(.text+0xc84): undefined reference to `rdatab_' reader.f90:(.text+0xe15): undefined reference to `rdatab_' reader.f90:(.text+0xfa9): undefined reference to `rdatab_' reader.f90:(.text+0x1144): undefined reference to `rdatab_' reader.f90:(.text+0x12fd): undefined reference to `rdatab_' reader.o:reader.f90:(.text+0x1547): more undefined references to `rdatab_' follow reader.o: In function `reader_': reader.f90:(.text+0x59ee): undefined reference to `strip_' reader.f90:(.text+0x5b2d): undefined reference to `rdatab_' reader.f90:(.text+0x5d52): undefined reference to `rdatab_' reader.f90:(.text+0x5e70): undefined reference to `rdatab_' reader.f90:(.text+0x5f94): undefined reference to `rdatab_' reader.f90:(.text+0x60b8): undefined reference to `rdatab_' reader.o:reader.f90:(.text+0x61dc): more undefined references to `rdatab_' follow tutor.o: In function `vtutor_': tutor.f90:(.text+0xa1): undefined reference to `strip_' fileio.o: In function `fileio_mp_readni_': fileio.f90:(.text+0x6090): undefined reference to `nitems_' fileio.f90:(.text+0x60d4): undefined reference to `subwrd_' fileio.f90:(.text+0x60fc): undefined reference to `chkint_' fileio.f90:(.text+0x617b): undefined reference to `strip_' fock.o: In function `fock_mp_xc_fock_reader_': fock.f90:(.text+0x18d): undefined reference to `rdatab_' fock.f90:(.text+0x2bf): undefined reference to `rdatab_' fock.f90:(.text+0x3d7): undefined reference to `rdatab_' fock.f90:(.text+0x4f7): undefined reference to `rdatab_' fock.f90:(.text+0x5f9): undefined reference to `rdatab_' fock.o:fock.f90:(.text+0x6fb): more undefined references to `rdatab_' follow fock.o: In function `fock_mp_xc_fock_reader_': fock.f90:(.text+0xcbe): undefined reference to `strip_' fock.f90:(.text+0xccf): undefined reference to `upper_' fock.f90:(.text+0xd7f): undefined reference to `rdatab_' fock.f90:(.text+0xe7b): undefined reference to `rdatab_' fock.f90:(.text+0xf77): undefined reference to `rdatab_' fock.f90:(.text+0x106e): undefined reference to `rdatab_' fock.f90:(.text+0x11c9): undefined reference to `rdatab_' fock.o:fock.f90:(.text+0x138a): more undefined references to `rdatab_' follow fock.o: In function `fock_mp_setup_fock_': fock.f90:(.text+0x3a25): undefined reference to `wforce_' dimer_heyden.o: In function `dimer_heyden_mp_dimer_read_input_': dimer_heyden.f90:(.text+0x7f2d): undefined reference to `rdatab_' dimer_heyden.f90:(.text+0x8028): undefined reference to `rdatab_' dimer_heyden.f90:(.text+0x8122): undefined reference to `rdatab_' dimer_heyden.f90:(.text+0x8253): undefined reference to `rdatab_' dimer_heyden.f90:(.text+0x837b): undefined reference to `rdatab_' dimer_heyden.o:dimer_heyden.f90:(.text+0x84a3): more undefined references to `rdatab_' follow subrot_scf.o: In function `subrotscf_mp_subrot_scf_': subrot_scf.f90:(.text+0x4b24): undefined reference to `wforce_' subrot_scf.o: In function `subrotscf_mp_setup_subrot_scf_': subrot_scf.f90:(.text+0x75d4): undefined reference to `rdatab_' gw_model.o: In function `gw_model_mp_gwdynsm1_ij_': gw_model.f90:(.text+0x109c): undefined reference to `rdatab_' electron.o: In function `elmin_': electron.f90:(.text+0x48a3): undefined reference to `wforce_' electron.f90:(.text+0x48b8): undefined reference to `wforce_' electron.f90:(.text+0x5466): undefined reference to `rdatab_' electron_all.o: In function `elmin_all_': electron_all.f90:(.text+0x5805): undefined reference to `wforce_' electron_all.f90:(.text+0x581a): undefined reference to `wforce_' electron_all.f90:(.text+0x6525): undefined reference to `rdatab_' pardens.o: In function `pardens_mp_parchg_': pardens.f90:(.text+0x43e): undefined reference to `wforce_' pardens.f90:(.text+0xcc3): undefined reference to `wforce_' pardens.f90:(.text+0x1439): undefined reference to `clean_' pardens.f90:(.text+0x1445): undefined reference to `nxtfru_' pardens.f90:(.text+0x14e0): undefined reference to `wforce_' pardens.f90:(.text+0x15db): undefined reference to `clean_' pardens.f90:(.text+0x15f3): undefined reference to `nxtfru_' pardens.f90:(.text+0x1691): undefined reference to `wforce_' pardens.f90:(.text+0x1bec): undefined reference to `nxtfru_' pardens.f90:(.text+0x1c8a): undefined reference to `wforce_' pardens.f90:(.text+0x3d8c): undefined reference to `wforce_' pardens.o: In function `pardensparchg_mp_write_eigv_': pardens.f90:(.text+0x4dcd): undefined reference to `wforce_' pardens.o: In function `pardensparchg_mp_read_pard_': pardens.f90:(.text+0x5dae): undefined reference to `wforce_' pardens.f90:(.text+0x5de6): undefined reference to `nxtfru_' pardens.f90:(.text+0x62f9): undefined reference to `rdatab_' pardens.f90:(.text+0x6381): undefined reference to `rdatab_' pardens.f90:(.text+0x640a): undefined reference to `rdatab_' pardens.f90:(.text+0x6753): undefined reference to `wforce_' pardens.f90:(.text+0x6975): undefined reference to `wforce_' pardens.f90:(.text+0x6f4a): undefined reference to `rdatab_' pardens.f90:(.text+0x7423): undefined reference to `wforce_' pardens.f90:(.text+0x762c): undefined reference to `rdatab_' pardens.f90:(.text+0x7c40): undefined reference to `wforce_' pardens.f90:(.text+0x7e51): undefined reference to `wforce_' pardens.f90:(.text+0x7f01): undefined reference to `rdatab_' pardens.f90:(.text+0x809c): undefined reference to `wforce_' pardens.f90:(.text+0x8379): undefined reference to `rdatab_' pardens.f90:(.text+0x84f7): undefined reference to `wforce_' pardens.f90:(.text+0x87ec): undefined reference to `rdatab_' pardens.f90:(.text+0x8896): undefined reference to `wforce_' pardens.f90:(.text+0x8926): undefined reference to `rdatab_' pardens.f90:(.text+0x89d0): undefined reference to `wforce_' paircorrection.o: In function `pair_correction_': paircorrection.f90:(.text+0x100): undefined reference to `rdatab_' optics.o: In function `calc_nabij_': optics.f90:(.text+0x10c): undefined reference to `rdatab_' optics.f90:(.text+0x260): undefined reference to `rdatab_' optics.f90:(.text+0x3df): undefined reference to `rdatab_' optics.f90:(.text+0x53b): undefined reference to `rdatab_' elpol.o:elpol.f90:(.text+0x57b0): more undefined references to `rdatab_' follow elinear_response.o: In function `mlrf_main_mp_lrf_main_': elinear_response.f90:(.text+0x656c): undefined reference to `wforce_' elinear_response.f90:(.text+0x6581): undefined reference to `wforce_' elinear_response.o: In function `mlrf_main_mp_lrf_rphi_': elinear_response.f90:(.text+0xe7ce): undefined reference to `wforce_' elinear_response.f90:(.text+0xe7e3): undefined reference to `wforce_' elinear_response.o: In function `mlrf_main_mp_lr_reader_': elinear_response.f90:(.text+0x1240e): undefined reference to `rdatab_' elinear_response.f90:(.text+0x12520): undefined reference to `rdatab_' elinear_response.f90:(.text+0x12628): undefined reference to `rdatab_' elinear_response.f90:(.text+0x12730): undefined reference to `rdatab_' elinear_response.f90:(.text+0x12838): undefined reference to `rdatab_' elinear_response.o:elinear_response.f90:(.text+0x12940): more undefined references to `rdatab_' follow ilinear_response.o: In function `lri_main_mp_lr_main_': ilinear_response.f90:(.text+0x88d8): undefined reference to `wforce_' ilinear_response.f90:(.text+0x88ed): undefined reference to `wforce_' linear_optics.o: In function `mlr_optic_mp_lr_optic_': linear_optics.f90:(.text+0x5ef): undefined reference to `wforce_' linear_response.o: In function `mlr_main_mp_lr_skeleton_': linear_response.f90:(.text+0x2a72): undefined reference to `wforce_' linear_response.f90:(.text+0x3802): undefined reference to `wforce_' linear_response.o:linear_response.f90:(.text+0x4844): more undefined references to `wforce_' follow wannier.o: In function `wannier_mp_wannier_reader_': wannier.f90:(.text+0xfe): undefined reference to `rdatab_' electron_OEP.o: In function `elmin_oep_': electron_OEP.f90:(.text+0x9507): undefined reference to `wforce_' electron_OEP.f90:(.text+0x951c): undefined reference to `wforce_' electron_OEP.f90:(.text+0x9ffc): undefined reference to `rdatab_' electron_lhf.o: In function `elmin_lhf_': electron_lhf.f90:(.text+0x3b6e): undefined reference to `wforce_' electron_lhf.f90:(.text+0x3b83): undefined reference to `wforce_' electron_lhf.f90:(.text+0x465d): undefined reference to `rdatab_' wave_cacher.o: In function `wave_cacher_mp_eddiag_gw_': wave_cacher.f90:(.text+0x37dc): undefined reference to `rdatab_' chi.o: In function `xi_mp_response_reader_': chi.f90:(.text+0x101): undefined reference to `rdatab_' chi.f90:(.text+0x1e3): undefined reference to `rdatab_' chi.f90:(.text+0x329): undefined reference to `rdatab_' chi.o:chi.f90:(.text+0x436): more undefined references to `rdatab_' follow chi.o: In function `xi_mp_calculate_xi_': chi.f90:(.text+0x943d): undefined reference to `wforce_' chi.f90:(.text+0xcef1): undefined reference to `wforce_' chi.o: In function `xi_mp_set_gw_from_algo_': chi.f90:(.text+0x13561): undefined reference to `strip_' chi.f90:(.text+0x1356e): undefined reference to `lower_' chi.f90:(.text+0x1357b): undefined reference to `length_' make: *** [vasp] Error 1 |
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emilyoyang
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謝謝 我網(wǎng)上搜了 小木蟲上也看了很多人的安裝帖子 關(guān)于上面問題網(wǎng)上的說話有 1.http://blog.sina.com.cn/s/blog_61ae97840100p5dl.html 把編譯器改成mpif77或mpif90重新編譯即可 ————可是我的編譯器本來就是mpif90或者mpif77 2.http://www.gaoyang168.com/bbs/viewthread.php?tid=2937739&page=2 這個(gè)帖子說是改用GotoBlas2，可以解決問題————可是我安裝GotoBlas2庫的時(shí)候，總是安裝不成功，出現(xiàn)如下錯(cuò)誤： collect2: ld returned 1 exit status make[1]: *** [../libgoto2_barcelonap-r1.13.so] Error 1 make[1]: Leaving directory `/opt/GotoBLAS2/exports' make: *** [shared] Error 2 GotoBLAS2安裝不成功不知道什么原因？ 還請版主指點(diǎn)一下！ 3.http://cms.mpi.univie.ac.at/vasp-forum/forum_viewtopic.php?2.3953 這個(gè)網(wǎng)帖說 Your compiler and/or MPI compiler driver script (mpif90) is incorrectly installed, and does not find the compiler library. 我在終端輸入which的時(shí)候檢查了 都沒有問題 真不知道到底哪里出錯(cuò)了�。�！ 我的Makefile文件附件上。 |
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本內(nèi)容由用戶自主發(fā)布，如果其內(nèi)容涉及到知識(shí)產(chǎn)權(quán)問題，其責(zé)任在于用戶本人，如對版權(quán)有異議，請聯(lián)系郵箱：xiaomuchong@tal.com - 附件 1 : makefile
2012-02-22 12:18:22, 14.02 K
3樓2012-02-22 12:21:28
賀儀
鐵桿木蟲 (著名寫手)
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2樓2012-02-22 10:50:48
emilyoyang
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4樓2012-02-22 12:23:40
賀儀
鐵桿木蟲 (著名寫手)
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【答案】應(yīng)助回帖
liliangfang(金幣+2): 多謝指教 2012-02-22 15:13:21
|
不知道你安裝了intel的mkl沒有 makefile中 # mkl.10.0 # set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines #BLAS=-L/opt/intel/mkl100/lib/em64t -lmkl -lpthread BLAS=-L/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -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= /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 LAPACK= -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lpthread #----------------------------------------------------------------------- BLAS和LAPACK你沒有指定吧？ 對于LAPACK可以用vasp自帶那句 LAPACK= ../vasp.5.lib/lapack_double.o |
5樓2012-02-22 14:27:44
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[考研] 求調(diào)劑，一志愿 南京航空航天大學(xué) ，080500材料科學(xué)與工程學(xué)碩，總分289分 +9 | @taotao 2026-03-29 | 9/450 |
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[考研] 08工科求調(diào)劑286 +4 | tgs_001 2026-03-28 | 4/200 |
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[考研] 291求調(diào)劑 +8 | Y-cap 2026-03-29 | 11/550 |
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[考研] 327求調(diào)劑 +5 | 小卡不卡. 2026-03-29 | 5/250 |
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[有機(jī)交流] 考研調(diào)劑 +8 | watb 2026-03-26 | 8/400 |
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[考研] 310求調(diào)劑 +10 | 爭取九點(diǎn)睡 2026-03-30 | 10/500 |
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[考研] 329求調(diào)劑 +8 | 星野? 2026-03-26 | 8/400 |
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[考研] 求調(diào)劑，一志愿 南京航空航天大學(xué)大學(xué) ，080500材料科學(xué)與工程學(xué)碩 +6 | @taotao 2026-03-26 | 7/350 |
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[考研] 一志愿211，335分，0856，求調(diào)劑院校和導(dǎo)師 +7 | 傾____蕭 2026-03-27 | 8/400 |
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[考研] 290求調(diào)劑 +3 | dfffsar 2026-03-29 | 3/150 |
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[考研] 一志愿雙一流機(jī)械285分求調(diào)劑 +4 | 幸運(yùn)的三木 2026-03-29 | 5/250 |
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[考研] 321求調(diào)劑 +7 | 璞玉~~ 2026-03-25 | 8/400 |
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[考研] 315求調(diào)劑 +4 | akie... 2026-03-28 | 5/250 |
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[考研] 復(fù)試調(diào)劑 +3 | raojunqi0129 2026-03-28 | 3/150 |
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[考研] 調(diào)劑 +3 | 好好讀書。 2026-03-28 | 3/150 |
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[考研] 331環(huán)境科學(xué)與工程求調(diào)劑 +3 | 熠然好運(yùn)氣 2026-03-27 | 3/150 |
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[考研] 314求調(diào)劑 +3 | 溪云珂 2026-03-26 | 3/150 |
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[考研] 286求調(diào)劑 +4 | lim0922 2026-03-26 | 4/200 |
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[考研] 求調(diào)劑 +3 | 李李不服輸 2026-03-25 | 3/150 |
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[考研] 344求調(diào)劑 +3 | desto 2026-03-24 | 3/150 |
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