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Vasp 5.2 lib编辑错误 求达人指点 谢谢 已有3人参与
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/opt/intel/Compiler/11.1/073/bin/intel64/ifort -I/opt/intel/mkl/10.2.6.038/include/fftw -FR -lowercase -assume byterecl -O3 -align -xT -FRDOBJ -c drdatab.f ifort: command line warning #10156: ignoring option '-F'; no argument required drdatab.f(5): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [PRECLIB] USE preclib ----------^ drdatab.f(6): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT REAL(q) (A-H,O-Z) --------------------^ drdatab.f(82): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) FLTRES(*) -----------^ drdatab.f(83): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) CMPRES(*) --------------^ compilation aborted for drdatab.f (code 1) make: *** [drdatab.o] Error 1 ---------------------------------------------makefile 如下-------------按照网上说的做了好久 其他都都编辑安装过了 到vasp卡住了------------------------------------------------------------------------------ .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 = icc -E -P -C $*.F >$*.f FC=ifort #CFLAGS = -O #FFLAGS = -O0 -FI CPP = /opt/intel/Compiler/11.1/073/bin/icc -E -P -C $*.F >$*.f #CC= /opt/intel/cce/10.1.018/bin/icc CC= /opt/intel/Compiler/11.1/073/bin/intel64/icc #FC= /opt/intel/Compiler/11.0/074/bin/intel64/ifort FC= /opt/intel/Compiler/11.1/073/bin/intel64/ifort CFLAGS = -O OFLAGS = -O3 -align -xT FFLAGS = -I/opt/intel/mkl/10.2.6.038/include/fftw -FR -lowercase -assume byterecl $(OFLAGS) #FREE = -FR FREE = -FRDOBJ 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_min.o: lapack_min.f $(FC) $(FFLAGS) $(NOFREE) -c lapack_min.f 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 $*.f |
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4楼2014-08-10 20:30:58
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source /opt/intel/composer_xe_2011_sp1.11.339/mkl/bin/mklvars.sh intel64 source /opt/intel/composer_xe_2011_sp1.11.339/bin/ifortvars.sh intel64 source /opt/intel/composer_xe_2011_sp1.11.339/bin/iccvars.sh intel64 这三个是写在.bashrc里面 最后一个是干啥的呢 没有看懂 是在root目录下终端输入么？ 谢谢哈 export LD_LIBRARY_PATH=/opt/intel/composer_xe_2011_sp1.11.339/compiler/lib/intel64:$LD_LIBRARY_PATH |
5楼2014-08-10 20:40:14
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[root@localhost vasp.5.lib]# make ifort -O0 -FI -FR -c drdatab.f drdatab.f(5): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [PRECLIB] USE preclib ----------^ drdatab.f(6): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT REAL(q) (A-H,O-Z) --------------------^ drdatab.f(82): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) FLTRES(*) -----------^ drdatab.f(83): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) CMPRES(*) --------------^ compilation aborted for drdatab.f (code 1) make: *** [drdatab.o] Error 1 试了好多次 就是不行 哎 给.bashrc贴出来看看 # .bashrc # User specific aliases and functions alias rm='rm -i' alias cp='cp -i' alias mv='mv -i' source /opt/intel/Compiler/11.1/073/bin/intel64/ifortvars_intel64.sh source /opt/intel/Compiler/11.1/073/bin/intel64/iccvars_intel64.sh source /opt/intel/mkl/10.2.6.038/tools/environment/mklvarsem64t.sh #./opt/intel/Compiler/11.1/073/bin/ifortvars.sh #./opt/intel/Compiler/11.1/073/mkl/tools/environment/mklvars32.sh # Source global definitions if [ -f /etc/bashrc ]; then . /etc/bashrc fi export PATH=$PATH:/opt/intel/Compiler/11.1/073/bin/intel64:/opt/intel/Compiler/11.1/073/bin/ifortvars.sh export LD_LIBRARY=$LD_LIBRARY:/opt/intel/mkl/10.2.6.038/lib/em64t export LIBRARY=$LIBRARY:/opt/intel/Compiler/11.1/073/lib/intel64 ~ |
8楼2014-08-11 22:00:59
12楼2014-08-12 09:59:20
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[root@localhost vasp.5.lib]# make ifort -O0 -FI -FR -c drdatab.f drdatab.f(5): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [PRECLIB] USE preclib ----------^ drdatab.f(6): error #6683: A kind type parameter must be a compile-time constant. [Q] IMPLICIT REAL(q) (A-H,O-Z) --------------------^ drdatab.f(82): error #6683: A kind type parameter must be a compile-time constant. [Q] REAL(q) FLTRES(*) -----------^ drdatab.f(83): error #6683: A kind type parameter must be a compile-time constant. [Q] COMPLEX(q) CMPRES(*) --------------^ compilation aborted for drdatab.f (code 1) make: *** [drdatab.o] Error 1 [root@localhost vasp.5.lib]# |
13楼2014-08-12 10:37:17
19楼2014-08-14 23:56:19
20楼2014-08-14 23:57:19
22楼2014-08-15 11:04:12
24楼2014-08-15 11:42:45