"floating-point execptions" in vasp.5.4.1-gfortran
Posted: Thu Aug 11, 2016 3:19 pm
Hello all,
I recently installed vasp5.4.1. on my xenon work station using gfortran.
After a completion of calculation,using vasp_std (checked with scf/relax/optic) the following Note appears.
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL
What does this note indicate? Is it an error? Is that something to do with my compilation?
Following is my make.include
# Precompiler options
CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \
-DCACHE_SIZE=4000 -Davoidalloc \
-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \
-DnoAugXCmeta -Duse_bse_te \
-Duse_shmem -Dtbdyn
CPP = /usr/bin/cpp -P -traditional $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpifort
FCL = mpifort
FREE = -ffree-form -ffree-line-length-none
FFLAGS =
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
LIBDIR = /usr/lib/
BLAS = /usr/lib/libblas.a
LAPACK = /usr/lib/liblapack.a
BLACS = /usr/lib/libblacs-openmpi.a
SCALAPACK = /usr/lib/libscalapack.a
OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
/usr/lib/x86_64-linux-gnu/libfftw3.a
INCS = -I/usr/include
LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS)
OBJECTS_O1 += fft3dfurth.o fftw3d.o fftmpi.o fftmpiw.o chi.o
OBJECTS_O2 += fft3dlib.o
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = gcc
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
Can anyone suggest and help?
Thank you
I recently installed vasp5.4.1. on my xenon work station using gfortran.
After a completion of calculation,using vasp_std (checked with scf/relax/optic) the following Note appears.
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL
What does this note indicate? Is it an error? Is that something to do with my compilation?
Following is my make.include
# Precompiler options
CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \
-DCACHE_SIZE=4000 -Davoidalloc \
-DMPI_BLOCK=8000 -DscaLAPACK -Duse_collective \
-DnoAugXCmeta -Duse_bse_te \
-Duse_shmem -Dtbdyn
CPP = /usr/bin/cpp -P -traditional $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpifort
FCL = mpifort
FREE = -ffree-form -ffree-line-length-none
FFLAGS =
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
LIBDIR = /usr/lib/
BLAS = /usr/lib/libblas.a
LAPACK = /usr/lib/liblapack.a
BLACS = /usr/lib/libblacs-openmpi.a
SCALAPACK = /usr/lib/libscalapack.a
OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
/usr/lib/x86_64-linux-gnu/libfftw3.a
INCS = -I/usr/include
LLIBS = $(SCALAPACK) $(LAPACK) $(BLAS)
OBJECTS_O1 += fft3dfurth.o fftw3d.o fftmpi.o fftmpiw.o chi.o
OBJECTS_O2 += fft3dlib.o
# For what used to be vasp.5.lib
CPP_LIB = $(CPP)
FC_LIB = $(FC)
CC_LIB = gcc
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
Can anyone suggest and help?
Thank you