######################
VASP.4.lib compilation results
NOTE: This appears to have worked fine
I have to enter (for compilation to work):
source /opt/intel/bin/compilervars.sh intel64 and
source /opt/intel/bin/ifortvars.sh intel64
######################
fott@OMELw002:~/VASP/src/vasp.4.lib$ make
ifort -O0 -FI -FR -c preclib.f
preclib.f: remark #5133: The input stream is empty
cc -O -c timing_.c
cc -O -c derrf_.c
cc -O -c dclock_.c
ifort -O0 -FI -FR -c diolib.f
diolib.f: remark #5133: The input stream is empty
ifort -O0 -FI -FR -c dlexlib.f
dlexlib.f: remark #5133: The input stream is empty
ifort -O0 -FI -FR -c drdatab.f
drdatab.f: remark #5133: The input stream is empty
ifort -O0 -FI -c lapack_double.f
ifort -O0 -FI -c linpack_double.f
ifort -O0 -FI -c lapack_atlas.f
rm libdmy.a
rm: cannot remove `libdmy.a': No such file or directory
make: [libdmy.a] Error 1 (ignored)
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
#############
VASP.4.6 Makefile
#############
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for Intel Fortran compiler for P4 systems
#
# The makefile was tested only under Linux on Intel platforms
# (Suse 5.3- Suse 9.0)
# the followin compiler versions have been tested
# 5.0, 6.0, 7.0 and 7.1 (some 8.0 versions seem to fail compiling the code)
# presently we recommend version 7.1 or 7.0, since these
# releases have been used to compile the present code versions
#
# it might be required to change some of library pathes, since
# LINUX installation vary a lot
# Hence check ***ALL**** options in this makefile very carefully
#-----------------------------------------------------------------------
#
# BLAS must be installed on the machine
# there are several options:
# 1) very slow but works:
# retrieve the lapackage from ftp.netlib.org
# and compile the blas routines (BLAS/SRC directory)
# please use g77 or f77 for the compilation. When I tried to
# use pgf77 or pgf90 for BLAS, VASP hang up when calling
# ZHEEV (however this was with lapack 1.1 now I use lapack 2.0)
# 2) most desirable: get an optimized BLAS
#
# the two most reliable packages around are presently:
# 3a) Intels own optimised BLAS (PIII, P4, Itanium)
# http://developer.intel.com/software/products/mkl/
# this is really excellent when you use Intel CPU's
#
# 3b) or obtain the atlas based BLAS routines
# http://math-atlas.sourceforge.net/
# you certainly need atlas on the Athlon, since the mkl
# routines are not optimal on the Athlon.
# If you want to use atlas based BLAS, check the lines around LIB=
#
# 3c) mindblowing fast SSE2 (4 GFlops on P4, 2.53 GHz)
# Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#
#-----------------------------------------------------------------------
# all CPP processed fortran files have the extension .f90
SUFFIX=.f90
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=ifort
# fortran linker
FCL=$(FC)
#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
# CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
# CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
# SUSE X.X, maybe some Red Hat distributions:
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# IFC work around some IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# general fortran flags (there must a trailing blank on this line)
#-----------------------------------------------------------------------
FFLAGS = -FR -assume byterecl
#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK SSE1 optimization, but also generate code executable on all mach.
# xK improves performance somewhat on XP, and a is required in order
# to run the code on older Athlons as well
# -xW SSE2 optimization
# -axW SSE2 optimization, but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------
# KMM changed from O3 to O1, removed tpp7
OFLAG=-O1
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)
#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# on P4, VASP works fastest with the libgoto library
# so that's what I recommend
#-----------------------------------------------------------------------
# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas
# use specific libraries (default library path might point to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a
# use the mkl Intel libraries for p4 (www.intel.com)
# mkl.5.1
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread
#BLAS=-L/usr/local/intel/composerxe-2011.4.191/mkl/lib/intel64 -libmkl_core -lpthread
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#BLAS= /home/fott/GotoBLAS2/libgoto2_nehalemp-r1.13.a
BLAS=-L/home/fott/GotoBLAS2/ -lgoto2 -lpthread
# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= ../vasp.4.lib/lapack_double.o
# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o -llapack -lcblas
# use the mkl Intel lapack
#LAPACK= -lmkl_lapack
#-----------------------------------------------------------------------
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK =
# compiler version 7.0 generates some vector statments which are located
# in the svml library, add the LIBPATH and the library (just in case)
#LINK = -L/opt/intel/compiler70/ia32/lib/ -lsvml
#-----------------------------------------------------------------------
# fft libraries:
# VASP.4.6 can use fftw.3.0.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------
#FFT3D = fft3dfurth.o fft3dlib.o
FFT3D = fftw3d.o fft3dlib.o /usr/lib/libfftw3.a
#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77
# appends *two* underscores to symbols that contain already an
# underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
# ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \
# -f90="pgf90 " \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
# ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above, you can use the following line
#-----------------------------------------------------------------------
#FC=mpif77
#FCL=$(FC)
#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------
#CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \
# -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
# -DMPI_BLOCK=500 \
## -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------
BLACS=$(HOME)/archives/SCALAPACK/BLACS/
SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK
SCA= $(SCA_)/libscalapack.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a
SCA=
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------
#LIB = -L../vasp.4.lib -ldmy \
# ../vasp.4.lib/linpack_double.o $(LAPACK) \
# $(SCA) $(BLAS)
# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
# fftw.3.0.1 is slighly faster and should be used if available
#FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#-----------------------------------------------------------------------
# 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 setex.o radial.o \
pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \
nonl.o nonlr.o dfast.o choleski2.o \
mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \
tet.o hamil.o steep.o \
chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \
ebs.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \
edtest.o electron.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o \
elpol.o setlocalpp.o aedens.o
INC=
vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp
$(FCL) -o vasp $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)
clean:
-rm -f *.g *.f *.o *.L *.mod ; touch *.F
main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)
makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)
makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F
$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)
fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)
.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
# in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------
fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -O1 -unroll0 -vec_report3 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -FR -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -FR -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -FR -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -FR -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -FR -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -FR -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -FR -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -O2 -c $*$(SUFFIX)
##########################
Output of Make-for Opteron machine
##########################
./preprocess <base.F | /usr/bin/cpp -P -C -traditional >base.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c base.f90
./preprocess <mpi.F | /usr/bin/cpp -P -C -traditional >mpi.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c mpi.f90
./preprocess <smart_allocate.F | /usr/bin/cpp -P -C -traditional >smart_allocate.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c smart_allocate.f90
./preprocess <xml.F | /usr/bin/cpp -P -C -traditional >xml.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c xml.f90
./preprocess <constant.F | /usr/bin/cpp -P -C -traditional >constant.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c constant.f90
./preprocess <jacobi.F | /usr/bin/cpp -P -C -traditional >jacobi.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c jacobi.f90
./preprocess <main_mpi.F | /usr/bin/cpp -P -C -traditional >main_mpi.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c main_mpi.f90
./preprocess <scala.F | /usr/bin/cpp -P -C -traditional >scala.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c scala.f90
./preprocess <asa.F | /usr/bin/cpp -P -C -traditional >asa.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c asa.f90
./preprocess <lattice.F | /usr/bin/cpp -P -C -traditional >lattice.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c lattice.f90
./preprocess <poscar.F | /usr/bin/cpp -P -C -traditional >poscar.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c poscar.f90
./preprocess <ini.F | /usr/bin/cpp -P -C -traditional >ini.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c ini.f90
./preprocess <setex.F | /usr/bin/cpp -P -C -traditional >setex.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c setex.f90
./preprocess <radial.F | /usr/bin/cpp -P -C -traditional >radial.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O1 -c radial.f90
./preprocess <pseudo.F | /usr/bin/cpp -P -C -traditional >pseudo.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c pseudo.f90
pseudo.f90(667): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(VALUE,'(G10.4)',IOSTAT=IERR) EDUML
--------------------^
pseudo.f90(668): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(VALUE,'(G8.3)',IOSTAT=IERR) EDUM
--------------------^
pseudo.f90(701): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(STRING(I)(13:80),'(4G10.4)',IOSTAT=IERR) P%EGGA
----------------------------------^
pseudo.f90(709): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(STRING(I)(13:80),'(2G8.3)',IOSTAT=IERR) START,STEP
----------------------------------^
pseudo.f90(714): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(STRING(I),'(8G10.4)',IOSTAT=IERR) (P%EKEERR(I1+I2),I2=1,IM)
---------------------------^
./preprocess <mgrid.F | /usr/bin/cpp -P -C -traditional >mgrid.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c mgrid.f90
./preprocess <mkpoints.F | /usr/bin/cpp -P -C -traditional >mkpoints.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c mkpoints.f90
./preprocess <wave.F | /usr/bin/cpp -P -C -traditional >wave.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O0 -c wave.f90
wave.f90(1216): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
10 FORMAT(' k-point ',I2,' : ',3F6.4,' plane waves: ',I6)
-------------------------------------^
./preprocess <wave_mpi.F | /usr/bin/cpp -P -C -traditional >wave_mpi.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c wave_mpi.f90
./preprocess <symmetry.F | /usr/bin/cpp -P -C -traditional >symmetry.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O1 -c symmetry.f90
./preprocess <symlib.F | /usr/bin/cpp -P -C -traditional >symlib.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O1 -c symlib.f90
./preprocess <lattlib.F | /usr/bin/cpp -P -C -traditional >lattlib.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c lattlib.f90
./preprocess <random.F | /usr/bin/cpp -P -C -traditional >random.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c random.f90
./preprocess <nonl.F | /usr/bin/cpp -P -C -traditional >nonl.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c nonl.f90
./preprocess <nonlr.F | /usr/bin/cpp -P -C -traditional >nonlr.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c nonlr.f90
./preprocess <dfast.F | /usr/bin/cpp -P -C -traditional >dfast.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c dfast.f90
./preprocess <choleski2.F | /usr/bin/cpp -P -C -traditional >choleski2.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c choleski2.f90
./preprocess <mix.F | /usr/bin/cpp -P -C -traditional >mix.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c mix.f90
./preprocess <charge.F | /usr/bin/cpp -P -C -traditional >charge.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c charge.f90
./preprocess <xcgrad.F | /usr/bin/cpp -P -C -traditional >xcgrad.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c xcgrad.f90
./preprocess <xcspin.F | /usr/bin/cpp -P -C -traditional >xcspin.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c xcspin.f90
./preprocess <potex1.F | /usr/bin/cpp -P -C -traditional >potex1.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c potex1.f90
./preprocess <potex2.F | /usr/bin/cpp -P -C -traditional >potex2.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c potex2.f90
./preprocess <metagga.F | /usr/bin/cpp -P -C -traditional >metagga.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c metagga.f90
./preprocess <constrmag.F | /usr/bin/cpp -P -C -traditional >constrmag.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c constrmag.f90
./preprocess <pot.F | /usr/bin/cpp -P -C -traditional >pot.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c pot.f90
./preprocess <cl_shift.F | /usr/bin/cpp -P -C -traditional >cl_shift.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c cl_shift.f90
cl_shift.f90(212): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
' CLL = ',I5,' CLZ = ',F5.3)
-------------------------------------------------^
./preprocess <force.F | /usr/bin/cpp -P -C -traditional >force.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c force.f90
./preprocess <dos.F | /usr/bin/cpp -P -C -traditional >dos.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c dos.f90
./preprocess <elf.F | /usr/bin/cpp -P -C -traditional >elf.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c elf.f90
./preprocess <tet.F | /usr/bin/cpp -P -C -traditional >tet.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c tet.f90
./preprocess <hamil.F | /usr/bin/cpp -P -C -traditional >hamil.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c hamil.f90
./preprocess <steep.F | /usr/bin/cpp -P -C -traditional >steep.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c steep.f90
./preprocess <chain.F | /usr/bin/cpp -P -C -traditional >chain.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c chain.f90
./preprocess <dyna.F | /usr/bin/cpp -P -C -traditional >dyna.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c dyna.f90
dyna.f90(896): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
& ' maximal distance =',F10.8/ &
------------------------------------^
./preprocess <relativistic.F | /usr/bin/cpp -P -C -traditional >relativistic.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c relativistic.f90
./preprocess <LDApU.F | /usr/bin/cpp -P -C -traditional >LDApU.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O2 -c LDApU.f90
./preprocess <sphpro.F | /usr/bin/cpp -P -C -traditional >sphpro.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c sphpro.f90
sphpro.f90(842): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
3201 FORMAT(/' k-point ',I4,' :',3X,3F11.8,' weight = ',F10.8/)
--------------------------------------------------------------^
sphpro.f90(824): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
2201 FORMAT(/' k-point ',I4,' :',3X,3F10.4,' weight = ',F8.6/)
--------------------------------------------------------------^
sphpro.f90(1234): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
3201 FORMAT(/' k-point ',I4,' :',3X,3F11.8,' weight = ',F10.8/)
--------------------------------------------------------------^
sphpro.f90(1215): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
2201 FORMAT(/' k-point ',I4,' :',3X,3F10.4,' weight = ',F8.6/)
--------------------------------------------------------------^
./preprocess <paw.F | /usr/bin/cpp -P -C -traditional >paw.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c paw.f90
./preprocess <us.F | /usr/bin/cpp -P -C -traditional >us.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O1 -c us.f90
./preprocess <ebs.F | /usr/bin/cpp -P -C -traditional >ebs.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c ebs.f90
./preprocess <wavpre.F | /usr/bin/cpp -P -C -traditional >wavpre.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c wavpre.f90
./preprocess <wavpre_noio.F | /usr/bin/cpp -P -C -traditional >wavpre_noio.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c wavpre_noio.f90
./preprocess <broyden.F | /usr/bin/cpp -P -C -traditional >broyden.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O2 -c broyden.f90
./preprocess <dynbr.F | /usr/bin/cpp -P -C -traditional >dynbr.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O1 -c dynbr.f90
./preprocess <rmm-diis.F | /usr/bin/cpp -P -C -traditional >rmm-diis.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c rmm-diis.f90
./preprocess <reader.F | /usr/bin/cpp -P -C -traditional >reader.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c reader.f90
./preprocess <writer.F | /usr/bin/cpp -P -C -traditional >writer.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c writer.f90
writer.f90(593): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,(1X,E9.3))') X,Y,Z,RPROJ(IND,1:LMYDIM)
----------------------------------------^
writer.f90(610): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,(1X,E9.3),1X,3(1X,E9.3))') X,Y,Z,RPROJ(IND,1:LMYDIM)
----------------------------------------^
writer.f90(610): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,(1X,E9.3),1X,3(1X,E9.3))') X,Y,Z,RPROJ(IND,1:LMYDIM)
------------------------------------------------------^
writer.f90(627): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,(1X,E9.3),1X,3(1X,E9.3),1X,5(1X,E9.3))') X,Y,Z,RPROJ(IND,1:LMYDIM)
----------------------------------------^
writer.f90(627): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,(1X,E9.3),1X,3(1X,E9.3),1X,5(1X,E9.3))') X,Y,Z,RPROJ(IND,1:LMYDIM)
------------------------------------------------------^
writer.f90(627): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,(1X,E9.3),1X,3(1X,E9.3),1X,5(1X,E9.3))') X,Y,Z,RPROJ(IND,1:LMYDIM)
--------------------------------------------------------------------^
writer.f90(650): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(72,'(3(1X,E12.5),2X,10(1X,E9.3))') X,Y,Z,RPROJ(IND,1:9),FSUM
------------------------------------------^
./preprocess <tutor.F | /usr/bin/cpp -P -C -traditional >tutor.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c tutor.f90
./preprocess <xml_writer.F | /usr/bin/cpp -P -C -traditional >xml_writer.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c xml_writer.f90
./preprocess <brent.F | /usr/bin/cpp -P -C -traditional >brent.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c brent.f90
./preprocess <stufak.F | /usr/bin/cpp -P -C -traditional >stufak.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c stufak.f90
./preprocess <fileio.F | /usr/bin/cpp -P -C -traditional >fileio.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c fileio.f90
fileio.f90(965): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(IU,'(1(1X,E17.11))',ERR=100,END=100) WORK(N)
-------------------------------^
fileio.f90(967): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
READ(IU,'(1(1X,E17.11))',ADVANCE='NO',ERR=100,END=100) WORK(N)
-------------------------------^
./preprocess <opergrid.F | /usr/bin/cpp -P -C -traditional >opergrid.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c opergrid.f90
./preprocess <stepver.F | /usr/bin/cpp -P -C -traditional >stepver.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c stepver.f90
./preprocess <dipol.F | /usr/bin/cpp -P -C -traditional >dipol.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c dipol.f90
./preprocess <xclib.F | /usr/bin/cpp -P -C -traditional >xclib.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c xclib.f90
./preprocess <chgloc.F | /usr/bin/cpp -P -C -traditional >chgloc.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c chgloc.f90
./preprocess <subrot.F | /usr/bin/cpp -P -C -traditional >subrot.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c subrot.f90
./preprocess <optreal.F | /usr/bin/cpp -P -C -traditional >optreal.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c optreal.f90
./preprocess <davidson.F | /usr/bin/cpp -P -C -traditional >davidson.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c davidson.f90
./preprocess <edtest.F | /usr/bin/cpp -P -C -traditional >edtest.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c edtest.f90
./preprocess <electron.F | /usr/bin/cpp -P -C -traditional >electron.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c electron.f90
./preprocess <shm.F | /usr/bin/cpp -P -C -traditional >shm.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c shm.f90
./preprocess <pardens.F | /usr/bin/cpp -P -C -traditional >pardens.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c pardens.f90
./preprocess <paircorrection.F | /usr/bin/cpp -P -C -traditional >paircorrection.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c paircorrection.f90
./preprocess <optics.F | /usr/bin/cpp -P -C -traditional >optics.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c optics.f90
./preprocess <constr_cell_relax.F | /usr/bin/cpp -P -C -traditional >constr_cell_relax.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c constr_cell_relax.f90
./preprocess <stm.F | /usr/bin/cpp -P -C -traditional >stm.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c stm.f90
./preprocess <finite_diff.F | /usr/bin/cpp -P -C -traditional >finite_diff.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c finite_diff.f90
./preprocess <elpol.F | /usr/bin/cpp -P -C -traditional >elpol.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c elpol.f90
./preprocess <setlocalpp.F | /usr/bin/cpp -P -C -traditional >setlocalpp.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c setlocalpp.f90
./preprocess <aedens.F | /usr/bin/cpp -P -C -traditional >aedens.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c aedens.f90
./preprocess <fftw3d.F | /usr/bin/cpp -P -C -traditional >fftw3d.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -O1 -c fftw3d.f90
./preprocess <fft3dlib.F | /usr/bin/cpp -P -C -traditional >fft3dlib.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -O1 -unroll0 -vec_report3 -c fft3dlib.f90
./preprocess <main.F | /usr/bin/cpp -P -C -traditional >main.f90 -DHOST=\"LinuxIFC\" -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc
ifort -FR -assume byterecl -FR -O0 -c main.f90
main.f90(3069): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6)
------------------------^
main.f90(3069): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6)
--------------------------------------^
main.f90(3069): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
7281 FORMAT(I4,' F= ',E14.8,' E0= ',E14.8,1X,' d E =',E12.6)
--------------------------------------------------------^
main.f90(2948): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
7280 FORMAT(I4,' T= ',F6.0,' E= ',E14.8, &
------------------------------------^
main.f90(2949): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, &
-----------------^
main.f90(2949): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, &
-------------------------------^
main.f90(2949): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' F= ',E14.8,' E0= ',E14.8,1X,' EK= ',E11.5, &
------------------------------------------------^
main.f90(2950): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' SP= ',E8.2,' SK= ',E8.2)
------------------^
main.f90(2950): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' SP= ',E8.2,' SK= ',E8.2)
-------------------------------^
main.f90(2852): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
72812 FORMAT(I4,' F(METAGGA)= ',E14.8,' E0(METAGGA)= ',E14.
---------------------------------^
main.f90(2852): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
72812 FORMAT(I4,' F(METAGGA)= ',E14.8,' E0(METAGGA)= ',E14.
--------------------------------------------------------^
main.f90(2851): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
72811 FORMAT(I4,' F(ASPHER.)= ',E14.8,' E0(ASPHER.)= ',E14.
---------------------------------^
main.f90(2851): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
72811 FORMAT(I4,' F(ASPHER.)= ',E14.8,' E0(ASPHER.)= ',E14.
--------------------------------------------------------^
main.f90(2736): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& 3(2X,3(1X,E9.3)))
---------------------^
main.f90(2730): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& 4(2X,3(1X,E9.3)) )
-----------------------^
main.f90(2723): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& 4(2X,3(1X,E9.3)))
---------------------------^
main.f90(1155): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
& ' WEIMIN = ',F6.4,' energy-eigenvalue tresh-hold'/ &
-----------------------------^
main.f90(1098): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' EDIFFG = ',E7.1,' stopping-criterion for IOM'/ &
-----------------------------^
main.f90(1087): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
& ' EDIFF = ',E7.1,' stopping-criterion for ELM'/ &
-----------------------------^
rm -f vasp
ifort -o vasp main.o 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 setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o aedens.o fftw3d.o fft3dlib.o /usr/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o -L/home/fott/GotoBLAS2/ -lgoto2 -lpthread
main.o: In function `MAIN__':
main.f90:(.text+0x36df): undefined reference to `rdatab_'
main.f90:(.text+0x1fefd): undefined reference to `rdatab_'
main.f90:(.text+0x201da): undefined reference to `rdatab_'
main.f90:(.text+0x22549): undefined reference to `wforce_'
main.f90:(.text+0x22eec): undefined reference to `rdatab_'
main.f90:(.text+0x3a3d4): undefined reference to `wforce_'
main.f90:(.text+0x3af46): undefined reference to `wforce_'
main.f90:(.text+0x3b3f8): undefined reference to `wforce_'
main.f90:(.text+0x3cb71): undefined reference to `wforce_'
main.f90:(.text+0x40140): undefined reference to `wforce_'
main.f90:(.text+0x410ec): undefined reference to `reopen_'
main.f90:(.text+0x42128): undefined reference to `reopen_'
main.f90:(.text+0x42847): undefined reference to `wforce_'
xml.o: In function `vaspxml_mp_xml_flush_':
xml.f90:(.text+0x750): undefined reference to `wforce_'
poscar.o: In function `poscar_mp_rd_poscar_head_':
poscar.f90:(.text+0x301): undefined reference to `nitems_'
poscar.f90:(.text+0x79f): undefined reference to `nitems_'
poscar.f90:(.text+0xc9f): undefined reference to `nitems_'
poscar.o: In function `poscar_mp_rd_poscar_':
poscar.f90:(.text+0x11dd): undefined reference to `nitems_'
poscar.o: In function `poscar_mp_outpos_trail_':
poscar.f90:(.text+0x5135): undefined reference to `reopen_'
pseudo.o: In function `pseudo_mp_rdpars_':
pseudo.f90:(.text+0x60e4): undefined reference to `length_'
nonlr.o: In function `nonlr_mp_lreal_compat_mode_':
nonlr.f90:(.text+0x4ee): undefined reference to `rdatab_'
charge.o: In function `gga_compat_mode_':
charge.f90:(.text+0x2441): undefined reference to `rdatab_'
constrmag.o: In function `constrained_m_modular_mp_constrained_m_reader_':
constrmag.f90:(.text+0x137): undefined reference to `rdatab_'
constrmag.f90:(.text+0x392): undefined reference to `rdatab_'
constrmag.f90:(.text+0x601): undefined reference to `rdatab_'
cl_shift.o:cl_shift.f90:(.text+0x107): more undefined references to `rdatab_' follow
reader.o: In function `reader_':
reader.f90:(.text+0x281): undefined reference to `strip_'
reader.f90:(.text+0x376): undefined reference to `rdatab_'
reader.f90:(.text+0x49a): undefined reference to `rdatab_'
reader.f90:(.text+0x5e9): undefined reference to `rdatab_'
reader.f90:(.text+0x671): undefined reference to `strip_'
reader.f90:(.text+0x682): undefined reference to `lower_'
reader.f90:(.text+0x760): undefined reference to `rdatab_'
reader.f90:(.text+0x81f): undefined reference to `strip_'
reader.f90:(.text+0x830): undefined reference to `upper_'
reader.f90:(.text+0x8c9): undefined reference to `rdatab_'
reader.f90:(.text+0xa03): undefined reference to `rdatab_'
reader.f90:(.text+0xacd): undefined reference to `strip_'
reader.f90:(.text+0xb8d): undefined reference to `rdatab_'
reader.f90:(.text+0xcac): undefined reference to `rdatab_'
reader.f90:(.text+0xdcb): undefined reference to `rdatab_'
reader.f90:(.text+0xef2): undefined reference to `rdatab_'
reader.f90:(.text+0x103f): undefined reference to `rdatab_'
reader.o:reader.f90:(.text+0x1215): more undefined references to `rdatab_' follow
reader.o: In function `reader_':
reader.f90:(.text+0x5267): undefined reference to `strip_'
reader.f90:(.text+0x53a8): undefined reference to `rdatab_'
reader.f90:(.text+0x55c1): undefined reference to `rdatab_'
reader.f90:(.text+0x56df): undefined reference to `rdatab_'
reader.f90:(.text+0x5803): undefined reference to `rdatab_'
reader.f90:(.text+0x5927): undefined reference to `rdatab_'
reader.o:reader.f90:(.text+0x5a4b): more undefined references to `rdatab_' follow
reader.o: In function `reader_':
reader.f90:(.text+0x8116): undefined reference to `strip_'
reader.f90:(.text+0x8127): undefined reference to `upper_'
reader.f90:(.text+0x828e): undefined reference to `rdatab_'
reader.f90:(.text+0x83ae): undefined reference to `rdatab_'
reader.f90:(.text+0x84c9): undefined reference to `rdatab_'
writer.o: In function `writer_mp_writer_reader_':
writer.f90:(.text+0xfc): undefined reference to `rdatab_'
writer.f90:(.text+0x20f): undefined reference to `rdatab_'
tutor.o: In function `vtutor_':
tutor.f90:(.text+0x97): undefined reference to `strip_'
fileio.o: In function `fileio_mp_readni_':
fileio.f90:(.text+0x8650): undefined reference to `nitems_'
fileio.f90:(.text+0x8694): undefined reference to `subwrd_'
fileio.f90:(.text+0x86bc): undefined reference to `chkint_'
fileio.f90:(.text+0x873b): undefined reference to `strip_'
dipol.o: In function `mdipol_mp_field_reader_':
dipol.f90:(.text+0x113): undefined reference to `rdatab_'
electron.o: In function `elmin_':
electron.f90:(.text+0x4a47): undefined reference to `wforce_'
electron.f90:(.text+0x4a5c): undefined reference to `wforce_'
electron.f90:(.text+0x5aaf): undefined reference to `rdatab_'
pardens.o: In function `pardens_mp_parchg_':
pardens.f90:(.text+0x500): undefined reference to `wforce_'
pardens.f90:(.text+0xec9): undefined reference to `wforce_'
pardens.f90:(.text+0x169f): undefined reference to `clean_'
pardens.f90:(.text+0x16ab): undefined reference to `nxtfru_'
pardens.f90:(.text+0x1746): undefined reference to `wforce_'
pardens.f90:(.text+0x183d): undefined reference to `clean_'
pardens.f90:(.text+0x1849): undefined reference to `nxtfru_'
pardens.f90:(.text+0x18e7): undefined reference to `wforce_'
pardens.f90:(.text+0x2114): undefined reference to `nxtfru_'
pardens.f90:(.text+0x21b2): undefined reference to `wforce_'
pardens.f90:(.text+0x43fe): undefined reference to `wforce_'
pardens.o: In function `pardensparchg_mp_write_eigv_':
pardens.f90:(.text+0x545b): undefined reference to `wforce_'
pardens.o: In function `pardensparchg_mp_read_pard_':
pardens.f90:(.text+0x65f0): undefined reference to `wforce_'
pardens.f90:(.text+0x6621): undefined reference to `nxtfru_'
pardens.f90:(.text+0x6b3c): undefined reference to `rdatab_'
pardens.f90:(.text+0x6bc1): undefined reference to `rdatab_'
pardens.f90:(.text+0x6c47): undefined reference to `rdatab_'
pardens.f90:(.text+0x6f8d): undefined reference to `wforce_'
pardens.f90:(.text+0x71a8): undefined reference to `wforce_'
pardens.f90:(.text+0x778a): undefined reference to `rdatab_'
pardens.f90:(.text+0x7c60): undefined reference to `wforce_'
pardens.f90:(.text+0x7e5e): undefined reference to `rdatab_'
pardens.f90:(.text+0x846f): undefined reference to `wforce_'
pardens.f90:(.text+0x8679): undefined reference to `wforce_'
pardens.f90:(.text+0x8722): undefined reference to `rdatab_'
pardens.f90:(.text+0x88ba): undefined reference to `wforce_'
pardens.f90:(.text+0x8b90): undefined reference to `rdatab_'
pardens.f90:(.text+0x8d0b): undefined reference to `wforce_'
pardens.f90:(.text+0x8ff9): undefined reference to `rdatab_'
pardens.f90:(.text+0x90a0): undefined reference to `wforce_'
pardens.f90:(.text+0x9129): undefined reference to `rdatab_'
pardens.f90:(.text+0x91d0): undefined reference to `wforce_'
paircorrection.o: In function `pair_correction_':
paircorrection.f90:(.text+0x100): undefined reference to `rdatab_'
optics.o: In function `calc_nabij_':
optics.f90:(.text+0xf2): undefined reference to `rdatab_'
optics.f90:(.text+0x23b): undefined reference to `rdatab_'
optics.f90:(.text+0x3af): undefined reference to `rdatab_'
optics.f90:(.text+0x4ff): undefined reference to `rdatab_'
elpol.o:elpol.f90:(.text+0x4b58): more undefined references to `rdatab_' follow
make: *** [vasp] Error 1
#################
I read in another VASP post that these undefined reference errors are related in an incomplete compilation of the vasp.4.lib directory. But I am pretty sure that the vasp.4.lib directory compiled without incident (see output above)
Any help is most appreciated.
Regards,
Kevin McPeak