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Installation problem in VASP.5.3.2

Posted: Thu Jun 20, 2013 3:49 am
by magnon963
Dear Admin. and VASP users.

I'm trying to install VASP.5.3.2. The makefile I'm using is

-------------------------------------------------------------------
.SUFFIXES: .inc .f .f90 .F
SUFFIX=.F90

CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
#FFLAGS = -I/applic/compilers/intel/11.1/mpi/mvapich/1.1.0/applib2/FFTW3/include -FR -lowercase -assume byterecl \
-I/applic/compilers/intel/11.1/mkl/include

FFLAGS = -FR -lowercase -assume byterecl
#OFLAG= -O1 -m64 -static
OFLAG= -O1
#OFLAG= -O1 -m64 -static-intel -static-libgcc

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =

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

#
BLAS= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
LAPACK= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
SCA= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -Bstatic -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Bdynamic -lguide
#

FC=mpif90
FCL=$(FC)
CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" \
-DCACHE_SIZE=16000 -DIFC \
-Davoidalloc -DRPROMU_DGEMV -DRACCMU_DGEMV \
-DscaLAPACK -DVASP2WANNIER90 -DVASPTPINV -DNGZhalf
#-DwNGZhalf
LIB = -L../vasp.5.lib -ldmy \
../vasp.5.lib/linpack_double.o \
../wannier90-1.2/libwannier.a \
$(LAPACK) \
$(SCA) $(BLAS)

FFT3D = fftmpi.o fftmpi_map.o fftw3d.o fft3dlib.o \
/applic/compilers/intel/10.1/mpi/mvapich/1.1.0/applib2/FFTW3/lib/libfftw3.a

LINK =

#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o

SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o mgrid.o xclib.o vdw_nl.o xclib_grad.o \
radial.o pseudo.o gridq.o ebs.o \
mkpoints.o wave.o wave_mpi.o wave_high.o \
$(BASIC) nonl.o nonlr.o nonl_high.o dfast.o choleski2.o \
....
.
.
.
.
.
.
-------------------------------------------------------------------

when i do make, it gives me error.

--------------------------------------------------------------------
./preprocess <base.F | /usr/bin/cpp -P -C -traditional >base.F90 -DMPI -DHOST=\"LinuxIFC\" -DCACHE_SIZE=16000 -DIFC -Davoidalloc -DRPROMU_DGEMV -DRACCMU_DGEMV -DscaLAPACK -DVASP2WANNIER90 -DVASPTPINV -DNGZhalf
mpif90 -FR -lowercase -assume byterecl -O1 -c base.F90
gfortran: byterecl: No such file or directory
f951: error: unrecognized command line option "-assume"
make: *** [base.o] Error 1
--------------------------------------------------------------------

If somebody can suggest something to install VASP successfully, then I'll be really thankful to him/her.

All the paths are correct.

thanks in advance.
best regards,
PS

Installation problem in VASP.5.3.2

Posted: Sat Jun 29, 2013 2:46 pm
by paultim374
#
BLAS= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
LAPACK= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
SCA= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -Bstatic -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Bdynamic -lguide
# #
BLAS= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
LAPACK= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
SCA= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -Bstatic -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Bdynamic -lguide
# #
BLAS= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
LAPACK= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
SCA= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -Bstatic -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Bdynamic -lguide
# #
BLAS= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
LAPACK= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
SCA= -L/applic/compilers/intel/10.1/mkl/lib/em64t -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -Bstatic -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Bdynamic -lguide
#