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金虫 (小有名气)

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注册: 2011-04-05
专业: 凝聚态物性 II ：电子结构

[求助] vasp 并行安装

下面是编译vasp时出现的问题，我是并行安装的，make之后出现了问题，请问怎么解决

./preprocess <xml.F | /usr/bin/cpp -P -C -traditional >xml.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGXhalf -DMPI_BLOCK=8000 -DRPROMU_DGEMV -DRACCMU_DGEMV -DscaLAPACK
mpif90 -O3 -c xml.f90
xml.f90:974.132:

"," name=",1H",A,1H",">",A,"</i>"

',ADVANCE="Yes"

blank(1:inden),tag,str(
1
Error: Syntax error in argument list at (1)
xml.f90:974.132:

"," name=",1H",A,1H",">",A,"</i>"

',ADVANCE="Yes"

blank(1:inden),tag,str(
1
Warning: Line truncated at (1)
xml.f90:1027.132:

"," name=",1H",A,1H",">",A,"</v>"

',ADVANCE="Yes"

blank(1:inden),tag,str(
1
Error: Syntax error in argument list at (1)
xml.f90:1027.132:

"," name=",1H",A,1H",">",A,"</v>"

',ADVANCE="Yes"

  blank(1:inden),tag,str(
                                                                        1
Warning: Line truncated at (1)
make: *** [xml.o] Error 1

下面是makefile的一部分

.SUFFIXES: .inc .f .f90 .F

SUFFIX=.f90

#-----------------------------------------------------------------------
FC=mpif90

FCL=$(FC)

CPP_ =  ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

CPP    = $(CPP_)  -DMPI -DHOST=\"LinuxIFC\"  -DIFC \
      -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGXhalf \
      -DMPI_BLOCK=8000 \
      -DRPROMU_DGEMV  -DRACCMU_DGEMV -DscaLAPACK

#CPP    = $(CPP_)  -DMPI  -DHOST=\"LinuxIFC\" -DIFC \
# -Dkind8 -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DNGZhalf \
#    -DMPI_BLOCK=8000 \
  # -DRPROMU_DGEMV  -DRACCMU_DGEMV  -DscaLAPACK

#-----------------------------------------------------------------------

#FFLAGS =  -I/home/LDD/intel/mkl/include/fftw -FR -lowercase
#FFLAGS= -I/home/LDD/intel/composer_xe_2013_sp1.1.106/mkl/include/fftw -FR -lowercase

#FFLAGS =  -FR -lowercase
OFLAG=-O3

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG  = -FR -O0
INLINE = $(OFLAG)

BLAS=-L/home/LDD/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core #-lpthread

LAPACK=-L/home/LDD/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core #-lpthread
#-----------------------------------------------------------------------

LINK =

# $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a

SCA= /home/LDD/intel/mkl/lib/mic/libmkl_scalapack_lp64.a #/home/LDD/intel/mkl/lib/mic/libmkl_blacs_openmpi_lp64.a

LIB    = -L../vasp.5.lib -ldmy  \
   ../vasp.5.lib/linpack_double.o $(LAPACK) \
   $(SCA) $(BLAS)

FFT3D = fftmpi.o fftmpi_map.o fftw3d.o fft3dlib.o  /home/LDD/intel/mkl/interfaces/fftw3xf/libfftw3xf_intel.a

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