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[求助]
vasp 编译出错 （求助）
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使用pgi 在服务器上并行编译vasp 5.2，在编译vasp.5.lib时出错： [root@cluster vasp.5.lib]# make mpif90 -Mx,119,0x200000 -O1 -tp k8-64 -i8 -Mfree -c preclib.f mpif90 -Mx,119,0x200000 -O1 -tp k8-64 -i8 -Mfree -c diolib.f mpif90 -Mx,119,0x200000 -O1 -tp k8-64 -i8 -Mfree -c dlexlib.f mpif90 -Mx,119,0x200000 -O1 -tp k8-64 -i8 -Mfree -c drdatab.f rm libdmy.a rm: cannot remove `libdmy.a': No such file or directory make: [libdmy.a] Error 1 (ignored) ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o ar: creating libdmy.a ar: preclib.o: No such file or directory make: *** [libdmy.a] Error 1 出现这个错误是什么原因呢？哪位高手可以指点一下 |
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谢谢您的回答。我重新编译了一下openmpi后，再编译vasp ,又出现了这个错误，您知道是怎么回事吗？ [root@cluster vasp.5.2]# make ./preprocess /sourcecode/openmpi/bin/mpif90 -FR -lowercase -O3 -c xml.f90 xml.f90(53): error #7013: This module file was not generated by any release of this compiler. [PREC] USE prec ------------^ xml.f90(179): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: r ---------------^ xml.f90(206): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: r ---------------^ xml.f90(236): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: v(  ---------------^ xml.f90(318): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: time1, time2 ---------------^ xml.f90(348): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: X(:, -------------^ xml.f90(404): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: v( ---------------^ xml.f90(604): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: VKPT(:, -------------^ xml.f90(605): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: WTKPT( -------------^ xml.f90(607): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q),OPTIONAL :: VOLWGT -------------^ xml.f90(610): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: tmp(1) -------------^ xml.f90(643): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) :: CELTOT(:, :, ----------------^ xml.f90(644): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: FERTOT(:, :, -------------^ xml.f90(663): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) :: CELTOT(:, :, ----------------^ xml.f90(664): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: FERTOT(:, :, -------------^ xml.f90(668): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: TMP(2) -------------^ xml.f90(710): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: EIGENVAL( NDATA, NB_TOT, NKPTS, ISPIN) -------------^ xml.f90(714): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: TMP(NDATA) -------------^ xml.f90(757): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) EFERMI -------------^ xml.f90(758): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) EMIN, EMAX ! minimal and maximal energy -------------^ xml.f90(765): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: DOS(NEDOS, ISPIN), DOSI(NEDOS, ISPIN) -------------^ xml.f90(766): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: DOSPAR(NEDOS, LDIM, NIONS, ISPIN) -------------^ xml.f90(770): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: E(NEDOS) -------------^ xml.f90(771): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: DELTAE -------------^ xml.f90(772): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q), ALLOCATABLE :: TMP( -------------^ xml.f90(899): error #7013: This module file was not generated by any release of this compiler. [VASPXML] USE vaspxml ------------^ xml.f90(906): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) :: FLTRES(*) -------------^ xml.f90(907): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) :: CMPRES(*) ----------------^ xml.f90(915): error #6404: This name does not have a type, and must have an explicit type. [LXML] IF (.NOT. lxml) RETURN ------------------^ xml.f90(920): error #6404: This name does not have a type, and must have an explicit type. [UIXML] WRITE(uixml, '(A,"<",A,">",A,""  ',ADVANCE="Yes" blank(1:inden),tag,str(1:i),tag--------------------^ (952): catastrophic error: Too many errors, exiting compilation aborted for xml.f90 (code 1) make: *** [xml.o] Error 1 |
8楼2011-08-25 16:45:54
mazuju028
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2楼2011-08-24 17:49:48
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这个是我的makefile, 麻烦版主帮我看看哪个地方出错了吧？ Last login: Wed Aug 24 21:05:52 2011 Rocks 5.3 (Rolled Tacos) Profile built 20:55 26-May-2011 Kickstarted 05:21 27-May-2011 [root@cluster ~]# cd /sourcecode/vasp5.2/vasp.5.lib [root@cluster vasp.5.lib]# vi makefile .SUFFIXES: .inc .f .F #----------------------------------------------------------------------- # Makefile for Portland Group F90/HPF compiler # the makefile was tested only under Linux on Intel platforms # however it might work on other platforms as well # # this release of vasp.4.lib contains lapack v2.0 # this can be compiled with pgf90 compiler if the option -O1 is used # # Mind: one user reported that he had to copy preclib.F diolib.F # dlexlib.F and drdatab.F to the directory vasp.4.4, compile the files # there and link them directly into vasp # for no obvious reason these files could not be linked from the library # #----------------------------------------------------------------------- # C-preprocessor CPP = mpicc -E -P -C $*.F >$*.f FC=mpif90 -Mx,119,0x200000 CFLAGS = -O FFLAGS = -O1 -tp k8-64 -i8 FREE = -Mfree DOBJ = preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o #----------------------------------------------------------------------- # general rules #----------------------------------------------------------------------- libdmy.a: $(DOBJ) lapack_double.o linpack_double.o lapack_atlas.o -rm libdmy.a ar vq libdmy.a $(DOBJ) # files which do not require autodouble lapack_double.o: lapack_double.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_double.f lapack_single.o: lapack_single.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_single.f lapack_atlas.o: lapack_atlas.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_atlas.f linpack_double.o: linpack_double.f $(FC) $(FFLAGS) $(NOFREE) -c linpack_double.f linpack_single.o: linpack_single.f $(FC) $(FFLAGS) $(NOFREE) -c linpack_single.f .c.o: $(CC) $(CFLAGS) -c $*.c .F.o: $(CPP) $(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f .F.f: $(CPP) .f.o: $(FC) $(FFLAGS) $(FREE) $(INCS) -c $*.f |
3楼2011-08-24 21:08:04
mazuju028
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4楼2011-08-24 23:18:34
