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qianbj2006

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[ÇóÖú] ±àÒëvaspµÄlibʱ¾Í³ö´í£¬ÇóÖ¸µã

Âé·³°ïæ¿´Ò»ÏÂ~~±àÒëvaspµÄlibʱ¾Í³ö´í£¬´íÎóÐÅÏ¢ÈçÏÂ
root@sjtu-ThinkPad-SL:/home/sjtu/Downloads/vasp4.6/vasp/vasp.4.lib# make
ifort -O0 -FI -FR  -c dlexlib.f
dlexlib.f(4): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [PRECLIB]
      USE preclib
----------^
dlexlib.f(5): error #6683: A kind type parameter must be a compile-time constant.   [Q]
      IMPLICIT REAL(q) (A-H,O-Z)
--------------------^
dlexlib.f(73): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [PRECLIB]
      USE preclib
----------^
dlexlib.f(74): error #6683: A kind type parameter must be a compile-time constant.   [Q]
      IMPLICIT REAL(q) (A-H,O-Z)
--------------------^

----------^
#ÖмäÖØ¸´£¬ºÜ¶à6683ºÍ7002´íÎó#
--------------------^
dlexlib.f(964): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a compile-time constant.   [Q]
      PARAMETER (TINY=1.E-10_q,MAXINT=2147483647.E0_q)
----------------------------^
dlexlib.f(964): error #6975: A kind-param must be a digit-string or a scalar-int-constant-name   [Q]
      PARAMETER (TINY=1.E-10_q,MAXINT=2147483647.E0_q)
----------------------------^
dlexlib.f(1084): catastrophic error: Too many errors, exiting
compilation aborted for dlexlib.f (code 1)
make: *** [dlexlib.o] Error 1

makefileÎļþ»ù±¾Ã»¸Ä
Ö»¸ÄÁËFC=ifort
È«ÎÄ£º
root@sjtu-ThinkPad-SL:/home/sjtu/Downloads/vasp4.6/vasp/vasp

.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     = gcc -E -P -C $*.F >$*.f
FC=ifort

CFLAGS = -O
FFLAGS = -O0 -FI
FREE   =  -FR

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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qianbj2006

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ÒýÓûØÌû:
5Â¥: Originally posted by liliangfang at 2011-11-23 22:11:15:
ÄãÓõÄʲôÊýѧ¿â°¡£¬ÓÐûÓиøÂ·¾¶£¬ÎÒÓбàÒë5.2µÄÌû×Ó¿ÉÒԲο¼ÏÂ

ÄãºÃ£¬ÄãµÄÌû×ÓÎÒÒѾ­¿´Á˺ܶà±éÁË£¬ÒòΪÊdzõѧ£¬ÄãµÄÌû×ÓÓÐЩµØ·½Ê¡ÂÔÁË£¬ËùÒÔ»¹ÊÇûÓи㶮£¬ÏÖÔÚÏëÓÃ×î¼òµ¥µÄ×éºÏÀ´±àÒ룬ifort+mkl+mpich2+vasp
8Â¥2011-11-24 09:06:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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qianbj2006

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/rootϵÄ.bashrc¼ÓÁË
source /opt/intel/composer_xe_2011_sp1/bin/compilervars.sh intel64
export PATH=$PATH:/opt/intel/composer_xe_2011_sp1.7.256/bin
export PATH=$PATH:/usr/bin

vasp.4.libϵÄÎļþÓÐ
ls
crayerrf.F           lapack_single_1.1.f         makefile.rs6000_p1
dclock_.c            lapack_single.f             makefile.sgi
dclock.c             linpack_double.f            makefile.sp2
dclock_ds20.c        linpack_single.f            makefile.sun
dclock_.o            makefile                    makefile.t3d
dclock_simple.c      makefile~                   makefile.t3e
derrf_.c             makefile.cray               makefile.vpp
derrf.c              makefile.dec                preclib.f
derrf_.o             makefile.fujitsu            preclib.F
derrf_t3d.c          makefile.hp                 preclib.o
diolib.f             makefile.hpux_itanium       ptimers.f
diolib.F             makefile.linux              ptimers.h
diolib.o             makefile.linux_abs          README.lapack
dlexlib.f            makefile.linux_alpha        sclock_cray.F
dlexlib.F            makefile.linux_efc_itanium  sclock_nec.F
dlexlib.s            makefile.linux_ifc_ath      sclock_t3d.F
drdatab.F            makefile.linux_ifc_opt      serrf.c
errf.F               makefile.linux_ifc_P4       stripnr
fujitsu.F            makefile.linux_ifc_P4~      timing_.c
itmtv.s              makefile.linux_pg           timing.c
lapack_atlas.f       makefile.linux_pgi_opt      timing_ds20.c
lapack_double_1.1.f  makefile.nec                timing.fujitsu.F
lapack_double.f      makefile.rs6000             timing_.o
2Â¥2011-11-23 21:46:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qianbj2006

ľ³æ (ÕýʽдÊÖ)

ÁíÍâÎÊһϣ¬±àÒëvaspµÄlibʱ»áÓõ½ÄÄЩÆäËûµÄlib£¿
3Â¥2011-11-23 21:52:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qianbj2006

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²é¿´ÁËpreclib.FÎļþ
ÀïÃæµÄÄÚÈÝÖ»Óм¸ÐÐ
£¡control precision
MODULE PRECLIB
INTEGER, PARAMETER :: q=SLECTED_REAL_KIND(10)
END MODULE
4Â¥2011-11-23 21:58:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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