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[ÇóÖú] ÇóÖúvasp±àÒë

±àÒë»·¾³Îª ifort£¨2013.5.192), mkl 11.0, openmpi
vasp-lib±àÒëûÓÐÎÊÌâ¡£µ«ÊÇÔÚ±àÒëvaspʱ£¬µÚÒ»²½±àÒëbase.f90¾Í³ö´íÁË£¬¶øÇÒ´íÎóºÜÆæ¹Ö£¬
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CODE:
./preprocess <base.F | /usr/bin/cpp -P -C -traditional >base.f90 -DMPI  -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf -DMPI_BLOCK=8000 -DRPROMU_DGEMV  -DRACCMU_DGEMV -DscaLAPACK
mpif90 -FR -lowercase -assume byterecl -O3  -c base.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 #10010: option '-pthread' is deprecated and will be removed in a future release. See '-help deprecated'
base.f90(1): error #5082: Syntax error, found '/' when expecting one of: <LABEL> <END-OF-STATEMENT> ; BLOCK BLOCKDATA PROGRAM MODULE TYPE INTEGER REAL ...
/* Copyright (C) 1991-2012 Free Software Foundation, Inc.
^
base.f90(16): error #5145: Invalid blank/tab
   <http://www.gnu.org/licenses/>.  */
----------------------------------^
base.f90(20): error #5145: Invalid blank/tab
   include it implicitly at the start of every compilation.  It must
-----------------------------------------------------------^
base.f90(29): error #5143: Missing mandatory separating blank

È»ºó±àÒë¾ÍÍ£Ö¹ÁË£¬ÒÔÏÂÊÇÎÒµÄmakefileµÄÏà¹Ø²¿·Ö
CODE:
.SUFFIXES: .inc .f .f90 .F
  2
  3 SUFFIX=.f90
  4
  5 FC=mpif90
  6 FCL=$(FC)
  7
  8 CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
  9
10 CPP    = $(CPP_) -DMPI  -DHOST=\"LinuxIFC\" -DIFC \
11      -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf \
12      -DMPI_BLOCK=8000 \
13      -DRPROMU_DGEMV  -DRACCMU_DGEMV -DscaLAPACK
14
15 FFLAGS = -FR -lowercase -assume byterecl
16
17 OFLAG=-O3
18
19 OFLAG_HIGH = $(OFLAG)
20 OBJ_HIGH =
21 OBJ_NOOPT =
22 DEBUG  = -FR -O0
23 INLINE = $(OFLAG) BLAS= -L/home/sheleon/intel/composer_xe_2013.5.192/mkl/lib/intel64 -Wl,--start-group -lmkl_intel    _lp64 -lmkl_sequential -lmkl_core -Wl,--end-group
26
27 LAPACK= -L/home/sheleon/intel/composer_xe_2013.5.192/mkl/lib/intel64 -Wl,--start-group -lmkl_int    el_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group
28
29 SCA= /home/sheleon/intel/composer_xe_2013.5.192/mkl/lib/intel64/libmkl_scalapack_lp64.a /home/sh    eleon/intel/composer_xe_2013.5.192/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a
30
31
32 LIB     = -L../vasp.5.lib -ldmy  \
33       ../vasp.5.lib/linpack_double.o $(LAPACK) \
34       $(SCA) $(BLAS)
35
36 FFT3D   = fftmpi.o fftmpi_map.o fftw3d.o fft3dlib.o /home/sheleon/intel/composer_xe_2013.5.192/m    kl/interfaces/fftw3xf/libfftw3xf_gnu.a

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