error in the execution of vasp in intel pentium machine

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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ouarda

error in the execution of vasp in intel pentium machine

#1 Post by ouarda » Tue Dec 12, 2006 10:27 am

dear all,
I have compiled the vasp in fc4 intel pIII. But when I tried to execute it I have got this following error:

sp.4.6.26 9Nov04 complex
forrtl: severe (168): Program Exception - illegal instruction
Image PC Routine Line Source
vasp 080984AD Unknown Unknown Unknown
vasp 0804C3CF Unknown Unknown Unknown
vasp 0804B001 Unknown Unknown Unknown
libc.so.6 002C8DE6 Unknown Unknown Unknown
vasp 0804AF41 Unknown Unknown Unknown

there is a part of my makefile :

# 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 -lowercase


OFLAG=-O3 -xW -tpp6

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =

OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)
BLAS= /home/LIBGOTO/GotoBLAS/libgoto_copperminep-r1.06.so
LAPACK= ../vasp.4.lib/lapack_double.o
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 = /opt/intel/fc/9.0/lib/libsvml.so

#-----------------------------------------------------------------------
# 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/local/lib/libfftw3.a


thanks fo your help
Last edited by ouarda on Tue Dec 12, 2006 10:27 am, edited 1 time in total.

admin
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error in the execution of vasp in intel pentium machine

#2 Post by admin » Tue Dec 12, 2006 2:29 pm

please check if all libraries were you use (including the ones which the compiler uses to open files...) were consistently compiled (same compiler release, same bit-mode) with the code
Last edited by admin on Tue Dec 12, 2006 2:29 pm, edited 1 time in total.

ouarda

error in the execution of vasp in intel pentium machine

#3 Post by ouarda » Thu Dec 14, 2006 9:56 am

thanks admin for help. But I don't inderstand the means of your sentences, i.e including the ones which the compiler uses to open files..... . Its specified in makefile of vasp or in other place!!!!
thanks
Last edited by ouarda on Thu Dec 14, 2006 9:56 am, edited 1 time in total.

admin
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Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
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error in the execution of vasp in intel pentium machine

#4 Post by admin » Fri Dec 15, 2006 2:54 pm

most probably, vasp crashes when calling date_and_time, which is an intrinsic fortran subroutine. Hence, I think there is some problem with your compiler installation, not related to vasp itself.
Last edited by admin on Fri Dec 15, 2006 2:54 pm, edited 1 time in total.

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