"floating-point execptions" in vasp.5.4.1-gfortran

Queries about input and output files, running specific calculations, etc.


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M Dave
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"floating-point execptions" in vasp.5.4.1-gfortran

#1 Post by M Dave » 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

support_vasp
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Re: "floating-point execptions" in vasp.5.4.1-gfortran

#2 Post by support_vasp » Thu Sep 12, 2024 7:01 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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