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guopengzhen金虫 (小有名气)
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【求助】vasp安装编译错误，请大家帮忙看下那里出错了。 已有3人参与
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Sample Text在 单机四核，(64位)ubuntu10.0，vasp4.6，非商业版本l_fcompxe_2011.2.137, l_mkl_10.3.1.107_intel64.tgz ifort和MKL安装都没问题，vasp4.lib也能顺利编译安装，生成了libdmy.a，安装vasp.4.6的时候都出现了下列问题，请高手指点 错误摘录如下：root@gpz-desktop:/home/VASP/vasp.4.6# make -f makefile.linux_ifc_P4 ./preprocess ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -e95 -vec_report3 -c fft3dlib.f90 ifort: command line remark #10010: option '-lowercase' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-tpp7' not supported ifort: command line remark #10279: option '-xW' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-prefetch-' not supported ifort: command line warning #10156: ignoring option '-p'; no argument required fft3dlib.f90(140): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [IWOFF] SAVE IWOFF,MAXOLD -----------^ fft3dlib.f90(140): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [MAXOLD] SAVE IWOFF,MAXOLD -----------------^ fft3dlib.f90(1106): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [IWOFF] SAVE IWOFF,MAXOLD -----------^ fft3dlib.f90(1106): error #8226: The variable typing occurred after the DATA statement and changed its implicit typing. [MAXOLD] SAVE IWOFF,MAXOLD -----------------^ fft3dlib.f90(1621): error #6033: 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 ---^ fft3dlib.f90(1698): error #7342: The computed GOTO statement is an obsolescent feature in Fortran 95. GOTO (10,50,90,130,170,210,250),IGO ------^ fft3dlib.f90(1713): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1741): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1774): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1807): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1852): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1890): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1943): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(1994): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2071): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2135): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2220): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2311): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2462): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2544): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2619): error #7342: The computed GOTO statement is an obsolescent feature in Fortran 95. GOTO (10,50,90,130,170,210,250),IGO ------^ fft3dlib.f90(2634): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2662): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2695): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2728): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2773): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2811): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2864): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2915): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(2992): error #6477: Fortran 95 does not allow this statement or directive. !DIR$ IVDEP ------^ fft3dlib.f90(3487): catastrophic error: Too many errors, exiting compilation aborted for fft3dlib.f90 (code 1) make: *** [fft3dlib.o] Error 1 ks：找不到命令 |
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7楼2012-05-10 22:04:12
lonewolf659
铜虫 (小有名气)
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2楼2011-03-06 03:08:24
guopengzhen
金虫 (小有名气)
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去掉以后好像也不行，下面是改以后出现的情况，本人是菜鸟，还望多多指点。
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./preprocess ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -vec_report3 -c fft3dlib.f90 ifort: command line remark #10010: option '-lowercase' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-tpp7' not supported ifort: command line remark #10279: option '-xW' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line remark #10148: option '-prefetch-' not supported ifort: command line warning #10156: ignoring option '-p'; no argument required ./preprocess ifort -I/opt/intel/mkl/include/fftw -FR -lower_case -FR -O0 -c main.f90 main.f90(3009): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6) ------------------------^ main.f90(3009): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6) --------------------------------------^ main.f90(3009): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6) --------------------------------------------------------^ main.f90(2888): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 7280 FORMAT(I4,' T= ',F6.0,' E= ',E14.8, & ------------------------------------^ main.f90(2889): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, & -----------------^ main.f90(2889): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, & -------------------------------^ main.f90(2889): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, & ------------------------------------------------^ main.f90(2890): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' SP= ',E8.2,' SK= ',E8.2) ------------------^ main.f90(2890): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' SP= ',E8.2,' SK= ',E8.2) -------------------------------^ main.f90(2792): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72812 FORMAT(I4,' F(METAGGA)= ',E14.8,' E0(METAGGA)= ',E14.8) ---------------------------------^ main.f90(2792): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72812 FORMAT(I4,' F(METAGGA)= ',E14.8,' E0(METAGGA)= ',E14.8) --------------------------------------------------------^ main.f90(2791): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72811 FORMAT(I4,' F(ASPHER.)= ',E14.8,' E0(ASPHER.)= ',E14.8) ---------------------------------^ main.f90(2791): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. 72811 FORMAT(I4,' F(ASPHER.)= ',E14.8,' E0(ASPHER.)= ',E14.8) --------------------------------------------------------^ main.f90(2676): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & 3(2X,3(1X,E9.3))) ---------------------^ main.f90(2670): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & 4(2X,3(1X,E9.3)) ) -----------------------^ main.f90(2663): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & 4(2X,3(1X,E9.3))) ---------------------------^ main.f90(1146): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'. & ' WEIMIN = ',F6.4,' energy-eigenvalue tresh-hold'/ & -----------------------------^ main.f90(1089): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' EDIFFG = ',E7.1,' stopping-criterion for IOM'/ & -----------------------------^ main.f90(1078): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'. & ' EDIFF = ',E7.1,' stopping-criterion for ELM'/ & -----------------------------^ 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 /opt/intel/mkl/lib/intel64/libfftw3xf_gcc.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/libs/libgoto/libgoto_p4_512-r0.6.so ifort: error #10236: File not found: '/opt/libs/libgoto/libgoto_p4_512-r0.6.so' make: *** [vasp] 错误 1 |
3楼2011-03-06 08:33:26
lonewolf659
铜虫 (小有名气)
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★ ★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
zhang668(金币+2): 多谢提示 2011-03-06 11:27:11
小木虫(金币+0.5):给个红包，谢谢回帖交流
zhang668(金币+2): 多谢提示 2011-03-06 11:27:11
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呵呵。看来去掉还是管用的 这次你的错误变了。 是因为vasp编译要用到BLAS库，你指定了用gotoblas，但是在Makefile中按照你指定的路径没有这个库。 ifort: error #10236: File not found: '/opt/libs/libgoto/libgoto_p4_512-r0.6.so' 你修改你的Makefile文件，将BALS的路径指定对了就行。 你google一下吧，MKL编译vasp时的makefile，里面会有说明的。 |
4楼2011-03-06 08:45:03
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