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huangyc

木虫 (正式写手)

[交流] [求助]编译VASP出错

出错信息为:
fortcom: Error: fft3dlib.f90, line 1625: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95.  Use an END DO or CONTINUE statement for each DO statement.   [20]
   20       CONTINUE
---^
fortcom: Error: fft3dlib.f90, line 1702: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (10,50,90,130,170,210,250),IGO
------^
fortcom: Error: fft3dlib.f90, line 2623: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (10,50,90,130,170,210,250),IGO
------^
fortcom: Error: fft3dlib.f90, line 3529: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (10,50,90,130,170,210,250),IGO
------^
fortcom: Error: fft3dlib.f90, line 4062: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (1010,1050,1090,1130,1170,1210,1250),IGO
------^
compilation aborted for fft3dlib.f90 (code 1)
make: *** [fft3dlib.o] Error 1
用的是ifort编译器,谢谢

[ Last edited by wuchenwf on 2009-6-22 at 21:39 ]
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huangyc

木虫 (正式写手)

又出现了新的问题
: undefined reference to `dsyrk_'
../vasp.4.lib/lapack_double.o(.text+0x39c9e): In function `dpotrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x39ddf): In function `dpotrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x39f9c): In function `dpotrf_':
: undefined reference to `dsyrk_'
../vasp.4.lib/lapack_double.o(.text+0x3a1a9): In function `dpotrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x3a2e8): In function `dpotrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x3a88a): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x3aa0f): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3aba2): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x3ad27): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3ae84): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x3b19c): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x3b321): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3b4b3): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x3b638): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3b795): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x3b951): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x3ba99): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3bba3): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x3bceb): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3be13): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x3c0a6): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x3c1f0): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3c300): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x3c44a): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x3c573): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x3cf25): In function `dsyev_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3d25c): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x3d2b4): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3d4c7): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x3d53b): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3deab): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3df62): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e034): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e0bf): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e55c): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3e5cf): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3e791): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e7cf): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e84f): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3e8c9): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3ed47): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3edb1): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x3efa1): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3f032): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x3f1a3): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3f26e): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3f4aa): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3f540): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3f7ed): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3f86b): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3f905): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3f95e): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x409b9): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40aa1): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40b5f): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40d36): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40df8): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x40eb6): more undefined references to `drot_' follow
../vasp.4.lib/lapack_double.o(.text+0x4bcc6): In function `dtgevc_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x4eb18): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4ebb8): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4ed18): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4ee2b): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4ef3b): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4f04e): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4f1e6): In function `dgetf2_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x4f2e3): In function `dgetf2_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x4f3a0): In function `dgetf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4f4f8): In function `dgetf2_':
: undefined reference to `dger_'
../vasp.4.lib/lapack_double.o(.text+0x5223c): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x522a1): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x52306): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x52408): In function `zstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x524a2): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x52791): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x5283e): In function `zstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x52884): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x528fa): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x53bb7): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x53c19): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x53c7b): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x53d77): In function `dstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x53e08): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x53fc0): In function `dstein_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x54068): In function `dstein_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x540a8): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x54152): In function `dstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x54195): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x54208): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x55603): In function `zhegv_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x556e5): In function `zhegv_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x55cbb): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x55de5): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x56109): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x5625e): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5688f): In function `dsygv_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x56971): In function `dsygv_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x56ea8): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x56fce): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x572e6): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x57433): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5a21d): In function `dgetrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5a3f8): In function `dgetrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x5a6d8): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5a783): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5a827): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5a8c4): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x5b316): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x5b3a7): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x5b617): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5b69f): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5b83a): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5bd10): In function `zheevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5bf32): In function `zheevx_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x5c8fc): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5c98d): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5cbed): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5cc75): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5ce05): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x5d2df): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x5d501): In function `dsyevx_':
: undefined reference to `dswap_'
make: *** [vasp] Error 1
是不是BLAS库有问题啊,谢谢
6楼2009-01-05 10:40:02
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查看全部 13 个回答

ecitpxq

木虫 (小有名气)

★ ★
fegg7502(金币+2,VIP+0):thanks,haha,
将makefile文件中

fft3dlib.o : fft3dlib.F
        $(CPP)
        $(FC) -FR -lowercase -O1 -tpp7 -xW -unroll0 -e95 -vec_report3 -c $*$(SUFFIX)

的-e95删掉,试试。
2楼2009-01-05 09:59:08
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y1ding

铁杆木虫 (著名写手)

★ ★ ★ ★ ★
fegg7502(金币+5,VIP+0):thanks,haha,
???vasp.4.6??makefile.linux_ifc_P4????о??g?r???????????????}???Q?????

???}1??
??VASP-FTP???dvasp.4.6???a?r??FTP????????з???s??δ???s2?N?汾
?????^makefile.linux_ifc_P4???l?F???汾??makefile????s?в?
???88?У?????????~
???s?汾??FFLAGS =  -FR -lowercase -assume byterecl
δ???s?汾??FFLAGS =  -FR -lowercase
?????s?汾?M?о??g??????????????}??
mpif90 -FR -lowercase -assume byterecl-FR -O0   -c main.f90
ifort: Command line error: Unrecognized keyword 'byterecl_FR' for option '-assume'
make: *** [main.o] Error 1

??Q???1??
???285?У????l?F?????????????n???????????????????error?a??
$(FC) $(FFLAGS)$(DEBUG)  $(INCS) -c main$(SUFFIX)
???
$(FC) $(FFLAGS) $(DEBUG)  $(INCS) -c main$(SUFFIX)

??Q???2??(?????h)
???????"-assume byterecl"????????FFLAGS =  -FR -lowercase?????



???}2??
????о??g?r????????FFTW??fft3dlib.F???F??????}??
fortcom: Error: fft3dlib.f90, line 1627: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95.  Use an END DO or CONTINUE statement for each DO statement.   [20]
   20       CONTINUE
---^
fortcom: Error: fft3dlib.f90, line 1704: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (10,50,90,130,170,210,250),IGO
------^
fortcom: Error: fft3dlib.f90, line 2625: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (10,50,90,130,170,210,250),IGO
------^
fortcom: Error: fft3dlib.f90, line 3531: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (10,50,90,130,170,210,250),IGO
------^
fortcom: Error: fft3dlib.f90, line 4064: The computed GOTO statement is an obsolescent feature in Fortran 95.
      GOTO (1010,1050,1090,1130,1170,1210,1250),IGO
------^
compilation aborted for fft3dlib.f90 (code 1)
make: *** [fft3dlib.o] Error 1
?????fft3dlib.F???????Z????F77????IFC????F95?Z????x??????????????F?????????
3楼2009-01-05 09:59:58
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y1ding

铁杆木虫 (著名写手)

★ ★
fegg7502(金币+2,VIP+0):thanks,haha,
解決方式:
將第343行
$(FC) -FR -lowercase -O1 -tpp7 -xW -prefetch- -unroll0 -e95 -vec_report3 -c $*$(SUFFIX)
去掉"-e95"變數改成
$(FC) -FR -lowercase -O1 -tpp7 -xW -prefetch- -unroll0 -vec_report3 -c $*$(SUFFIX)
因為"-e95"變數會把F95編譯F77程式碼產生的警告(warning)改成錯誤(error)型式輸出,造成編譯?娖韧V篃o法忽略跳過!
4楼2009-01-05 10:00:37
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