vasp 5.4.1 installation problems (segmentation fault)
Moderators: Global Moderator, Moderator
- hacret
- Newbie
- Posts: 10
- Joined: Tue Jan 31, 2006 7:20 am
vasp 5.4.1 installation problems (segmentation fault)
I have completed the vasp.5.4.1 with gfortran 4.4.7, intel mkl 10.2.x and openmpi 1.10.0.
However I have still problem as below when it is running.
vasp_gam is no problem but vasp_std is occured segmentation fault.
What is the reason?
Please help me
error message
------------------------------------------------------------
[linux0092:16238] *** Process received signal ***
[linux0092:16238] Signal: Segmentation fault (11)
[linux0092:16238] Signal code: (128)
[linux0092:16238] Failing at address: (nil)
[linux0092:16239] *** Process received signal ***
[linux0092:16239] Signal: Segmentation fault (11)
[linux0092:16239] Signal code: (128)
[linux0092:16239] Failing at address: (nil)
[linux0092:16238] [ 0] /lib64/libpthread.so.0(+0xf710)[0x2b4475f07710]
[linux0092:16238] [ 1] /user/xdog/bin/vasp_std(mkl_blas_mc3_zdotc+0x97)[0xd4a867]
[linux0092:16238] [ 2] [linux0092:16239] [ 0] /lib64/libpthread.so.0(+0xf710)[0x2b731f9bf710]
[linux0092:16239] [ 1] /user/xdog/bin/vasp_std(mkl_blas_mc3_zdotc+0xa3)[0xd4a873]
[linux0092:16239] [ 2] /user/xdog/bin/vasp_std[0xc99970]
[linux0092:16239] [ 3] /user/xdog/bin/vasp_std[0xc940ae]
[linux0092:16239] [ 4] /user/xdog/bin/vasp_std[0xc93fa6]
[linux0092:16239] *** End of error message ***
/user/xdog/bin/vasp_std[0xc99970]
[linux0092:16238] [ 3] /user/xdog/bin/vasp_std[0xc940ae]
[linux0092:16238] [ 4] /user/xdog/bin/vasp_std[0xc93fa6]
[v:16238] *** End of error message ***
makefile.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 = gcc -E -P -C $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpifort
FCL = $(FC)
#-openmp
FREE = -ffree-form -ffree-line-length-none
FFLAGS =
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# for intel MKL
LIBDIR = /opt/lib/intel/mkl/10.2.4.032/lib/em64t
BLACS = -L$(LIBDIR) -lmkl_blacs_openmpi_lp64
SCALAPACK = -L$(LIBDIR) -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -liomp5 -lpthread -lmkl_sequential -lm $(BLACS) -I/opt/lib/intel/mkl/10.2.4.032/include
#default
#LIBDIR = /data1/gf01/libs/
#BLAS = -L$(LIBDIR) -lrefblas
#LAPACK = -L$(LIBDIR) -ltmglib -llapack
#BLACS =
#SCALAPACK = -L$(LIBDIR) -lscalapack $(BLACS)
OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
/opt/intel/mkl/10.2.4.032/interfaces/fftw3xf/libfftw3xf_intel.a
INCS =-I/opt/lib/intel/mkl/10.2.4.032/include/fftw
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
However I have still problem as below when it is running.
vasp_gam is no problem but vasp_std is occured segmentation fault.
What is the reason?
Please help me
error message
------------------------------------------------------------
[linux0092:16238] *** Process received signal ***
[linux0092:16238] Signal: Segmentation fault (11)
[linux0092:16238] Signal code: (128)
[linux0092:16238] Failing at address: (nil)
[linux0092:16239] *** Process received signal ***
[linux0092:16239] Signal: Segmentation fault (11)
[linux0092:16239] Signal code: (128)
[linux0092:16239] Failing at address: (nil)
[linux0092:16238] [ 0] /lib64/libpthread.so.0(+0xf710)[0x2b4475f07710]
[linux0092:16238] [ 1] /user/xdog/bin/vasp_std(mkl_blas_mc3_zdotc+0x97)[0xd4a867]
[linux0092:16238] [ 2] [linux0092:16239] [ 0] /lib64/libpthread.so.0(+0xf710)[0x2b731f9bf710]
[linux0092:16239] [ 1] /user/xdog/bin/vasp_std(mkl_blas_mc3_zdotc+0xa3)[0xd4a873]
[linux0092:16239] [ 2] /user/xdog/bin/vasp_std[0xc99970]
[linux0092:16239] [ 3] /user/xdog/bin/vasp_std[0xc940ae]
[linux0092:16239] [ 4] /user/xdog/bin/vasp_std[0xc93fa6]
[linux0092:16239] *** End of error message ***
/user/xdog/bin/vasp_std[0xc99970]
[linux0092:16238] [ 3] /user/xdog/bin/vasp_std[0xc940ae]
[linux0092:16238] [ 4] /user/xdog/bin/vasp_std[0xc93fa6]
[v:16238] *** End of error message ***
makefile.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 = gcc -E -P -C $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
FC = mpifort
FCL = $(FC)
#-openmp
FREE = -ffree-form -ffree-line-length-none
FFLAGS =
OFLAG = -O2
OFLAG_IN = $(OFLAG)
DEBUG = -O0
# for intel MKL
LIBDIR = /opt/lib/intel/mkl/10.2.4.032/lib/em64t
BLACS = -L$(LIBDIR) -lmkl_blacs_openmpi_lp64
SCALAPACK = -L$(LIBDIR) -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -liomp5 -lpthread -lmkl_sequential -lm $(BLACS) -I/opt/lib/intel/mkl/10.2.4.032/include
#default
#LIBDIR = /data1/gf01/libs/
#BLAS = -L$(LIBDIR) -lrefblas
#LAPACK = -L$(LIBDIR) -ltmglib -llapack
#BLACS =
#SCALAPACK = -L$(LIBDIR) -lscalapack $(BLACS)
OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o \
/opt/intel/mkl/10.2.4.032/interfaces/fftw3xf/libfftw3xf_intel.a
INCS =-I/opt/lib/intel/mkl/10.2.4.032/include/fftw
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
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: vasp 5.4.1 installation problems (segmentation fault)
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