Question about installation vasp.5.4.1

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Question about installation vasp.5.4.1

Postby xskong » Fri Mar 31, 2017 8:23 am

Makefile:
# Precompiler options
CPP_OPTIONS= -DMPI -DHOST=\"LinuxIFC\" -DIFC \
-DCACHE_SIZE=16000 -DPGF90 -Davoidalloc \
-DMPI_BLOCK=256000 -DscaLAPACK -Duse_collective \
-DnoAugXCmeta -Duse_bse_te \
-Duse_shmem -Dtbdyn

CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)

FC = mpiifort
FCL = mpiifort -mkl
#FCL = mpiifort

FREE = -free -names lowercase -heap-arrays 64

FFLAGS = -assume byterecl
OFLAG = -O1
OFLAG_IN = $(OFLAG)
DEBUG = -O0
MKLROOT = /export/software/intel/composer_xe_2013.3.163/mkl
MKL_PATH = $(MKLROOT)/lib/intel64
BLAS =-L$(MKL_PATH) -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
LAPACK = $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_core.a $(MKLROOT)/lib/intel64/libmkl_sequential.a -Wl,--end-group $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a -lpthread -lm
#BLACS = -lmkl_blacs_intelmpi_lp64
#SCALAPACK = $(MKL_PATH)/libmkl_scalapack_lp64.a $(BLACS)

OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
$(MKLROOT)/interfaces/fftw3xf/libfftw3xf_intel.a
INCS =-I$(MKLROOT)/include/fftw

LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS)

OBJECTS_O1 += fft3dfurth.o fftw3d.o fftmpi.o fftmpiw.o
OBJECTS_O2 += fft3dlib.o

# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = icc
CFLAGS_LIB = -O
FFLAGS_LIB = -O1
FREE_LIB = $(FREE)

OBJECTS_LIB= linpack_double.o getshmem.o

# Normally no need to change this
SRCDIR = ../../src
BINDIR = ../../bin


The error :%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

mpiifort -free -names lowercase -heap-arrays 64 -O2 -I/export/software/intel/composer_xe_2013.3.163/mkl/include/fftw -c us.f90
fpp -f_com=no -free -w0 core_rel.F core_rel.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DMPI_BLOCK=256000 -DscaLAPACK -Duse_collective -DnoAugXCmeta -Duse_bse_te -Duse_shmem -Dtbdyn -DNGZhalf
mpiifort -free -names lowercase -heap-arrays 64 -assume byterecl -O1 -I/export/software/intel/composer_xe_2013.3.163/mkl/include/fftw -c core_rel.f90
fpp -f_com=no -free -w0 aedens.F aedens.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DMPI_BLOCK=256000 -DscaLAPACK -Duse_collective -DnoAugXCmeta -Duse_bse_te -Duse_shmem -Dtbdyn -DNGZhalf
mpiifort -free -names lowercase -heap-arrays 64 -assume byterecl -O1 -I/export/software/intel/composer_xe_2013.3.163/mkl/include/fftw -c aedens.f90
fpp -f_com=no -free -w0 wavpre.F wavpre.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DMPI_BLOCK=256000 -DscaLAPACK -Duse_collective -DnoAugXCmeta -Duse_bse_te -Duse_shmem -Dtbdyn -DNGZhalf
mpiifort -free -names lowercase -heap-arrays 64 -assume byterecl -O1 -I/export/software/intel/composer_xe_2013.3.163/mkl/include/fftw -c wavpre.f90
wavpre.F(107): internal error: Please visit 'http://www.intel.com/software/products/support' for assistance.
WRITE(IU0,*)'WAVPRE: it is not possible to use external file'
^
[ Aborting due to internal error. ]
compilation aborted for wavpre.f90 (code 1)
make[2]: *** [wavpre.o] Error 1
make[2]: Leaving directory `/home/xskong/vasp/vasp.5.4.1/build/std'
cp: cannot stat `vasp': No such file or directory
make[1]: *** [all] Error 1
make[1]: Leaving directory `/home/xskong/vasp/vasp.5.4.1/build/std'
make: *** [std] Error 2
[xskong@cluster vasp.5.4.1]$
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Re: Question about installation vasp.5.4.1

Postby VASP001 » Fri May 19, 2017 3:28 pm

Hi, do you fix this probrom, I have met the same problem!
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Re: Question about installation vasp.5.4.1

Postby VASP001 » Fri May 19, 2017 3:37 pm

I have met the same probloms. I don't know how you fix this problems, could you give me some replies.
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Re: Question about installation vasp.5.4.1

Postby tfrankcombe » Wed May 24, 2017 10:03 pm

xskong wrote:[ Aborting due to internal error. ]


Here's the key point. Your compiler crashed, it's buggy. You need a version of the compiler without whatever bug is causing this. (You don't specify what version you use.)
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