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Hi, all
I used the ifort 10.1.018 version to compile the VASP(a chemical soft).
All the parameters were set up as following(in the makefile):
Makefile:
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=ifort
# fortran linker
FCL=$(FC)
OFLAG=-O1 -xW -tpp7
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=/opt/Linux_P4SSE2/lib
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= /opt/Linux_P4SSE2/lib -lf77blas -latlas -lmkl
#BLAS= -L$(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
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
BLAS= /opt/intel/mkl/10.0.5.025/lib/32 -lmkl -lguide -lpthread
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl -lguide -lpthread
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#BLAS= /opt/libs/libgoto/libgoto_p4_512-r0.6.so
# 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
......
......
Output:
............
............
ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -vec_report3 -c fft3dlib.f90
ifort: command line remark #10148: option '-tp' not supported
ifort: command line warning #10156: ignoring option '-p'; no argument required
ifort -FR -lowercase -FR -O0 -c main.f90
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 fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/intel/mkl/10.0.5.025/lib/32 -lmkl -lguide -lpthread
backend signals
fortcom: Severe: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error.
ifort: error #10014: problem during multi-file optimization compilation (code 3)make: *** [vasp] Error 3
========================================
I have no idea whats wrong with my compilation..
if anyone can help me figure it out.. My email is xz288@nyu.edu
Thanks.
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The backend component of the compiler suffered an internal compilation error. Since you are already using the latest 10.1.018 update but only a few optimization switches, you could try the first work-around of dropping the optimization from O1 to O0 in OFLAG. If that avoids the error, then use a trial and error search to see if you can identify which source file corresponding to the objects linked triggers the error with compiled at O1. It is also possible the error is triggered by xW so you could do a similar search involving that option. You probably noted the tpp7 is an invalid option, so you can remove it.
If the source for VASP can be provided to us then please report the error to Intel Premier here and indicate that you reported this error in the User forum.
You could also consider trying the 11.0 Beta compiler. See the permanent announcement regarding that at the top of this Forum.
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The backend component of the compiler suffered an internal compilation error. Since you are already using the latest 10.1.018 update but only a few optimization switches, you could try the first work-around of dropping the optimization from O1 to O0 in OFLAG. If that avoids the error, then use a trial and error search to see if you can identify which source file corresponding to the objects linked triggers the error with compiled at O1. It is also possible the error is triggered by xW so you could do a similar search involving that option. You probably noted the tpp7 is an invalid option, so you can remove it.
If the source for VASP can be provided to us then please report the error to Intel Premier here and indicate that you reported this error in the User forum.
You could also consider trying the 11.0 Beta compiler. See the permanent announcement regarding that at the top of this Forum.
Hi, thanks for your reply.. i tried your way, but still get the same error.
Then i switched to another pc, and changed alittle when linking the blas library by MKL as following:
ifort flag:
OFLAG=-O3 -xW -tpp7
BLAS= /opt/intel/mkl/10.0.5.025/lib/32 -lmkl_P4 -lguide -lpthrea
=============================================================
for this time, i got a different error:
===========================error=============================
ipo: error #11021: OBJREAD Error: Could not create mapping for /opt/intel/mkl/10.0.5.025/lib/32/
ifort: error #10014: problem during multi-file optimization compilation (code 1)make: *** [vasp] Error 1
============================================================
so,what should i do now?
thanks for your help. :)
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Hi, all
I used the ifort 10.1.018 version to compile the VASP(a chemical soft).
All the parameters were set up as following(in the makefile):
Makefile:
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=ifort
# fortran linker
FCL=$(FC)
OFLAG=-O1 -xW -tpp7
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=/opt/Linux_P4SSE2/lib
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= /opt/Linux_P4SSE2/lib -lf77blas -latlas -lmkl
#BLAS= -L$(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
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
BLAS= /opt/intel/mkl/10.0.5.025/lib/32 -lmkl -lguide -lpthread
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl -lguide -lpthread
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#BLAS= /opt/libs/libgoto/libgoto_p4_512-r0.6.so
# 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
......
......
Output:
............
............
ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -vec_report3 -c fft3dlib.f90
ifort: command line remark #10148: option '-tp' not supported
ifort: command line warning #10156: ignoring option '-p'; no argument required
ifort -FR -lowercase -FR -O0 -c main.f90
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 fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/intel/mkl/10.0.5.025/lib/32 -lmkl -lguide -lpthread
backend signals
fortcom: Severe: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error.
ifort: error #10014: problem during multi-file optimization compilation (code 3)make: *** [vasp] Error 3
========================================
I have no idea whats wrong with my compilation..
if anyone can help me figure it out.. My email is xz288@nyu.edu
Thanks.
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Hi, all
I used the ifort 10.1.018 version to compile the VASP(a chemical soft).
All the parameters were set up as following(in the makefile):
Makefile:
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=ifort
# fortran linker
FCL=$(FC)
OFLAG=-O1 -xW -tpp7
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=/opt/Linux_P4SSE2/lib
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= /opt/Linux_P4SSE2/lib -lf77blas -latlas -lmkl
#BLAS= -L$(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
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
BLAS= /opt/intel/mkl/10.0.5.025/lib/32 -lmkl -lguide -lpthread
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl -lguide -lpthread
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#BLAS= /opt/libs/libgoto/libgoto_p4_512-r0.6.so
# 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
......
......
Output:
............
............
ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -vec_report3 -c fft3dlib.f90
ifort: command line remark #10148: option '-tp' not supported
ifort: command line warning #10156: ignoring option '-p'; no argument required
ifort -FR -lowercase -FR -O0 -c main.f90
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 fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/intel/mkl/10.0.5.025/lib/32 -lmkl -lguide -lpthread
backend signals
fortcom: Severe: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report. Note: File and line given may not be explicit cause of this error.
ifort: error #10014: problem during multi-file optimization compilation (code 3)make: *** [vasp] Error 3
========================================
I have no idea whats wrong with my compilation..
if anyone can help me figure it out.. My email is xz288@nyu.edu
Thanks.
For instructions on how to edit the VASP makefile to use MKL, see this application note:
http://www.intel.com/support/performancetools/libraries/mkl/sb/CS-028850.htm
Thanks, Shane
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