MPI Runtime Error

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


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Masoud
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Joined: Mon Oct 02, 2006 6:17 pm

MPI Runtime Error

#1 Post by Masoud » Wed Nov 22, 2006 5:04 am

Hi,

I have compiled VASP on a Linux cluster using the mpif90 of intel-9. The compilation ends without any error, but the jobs are killed right after starting; with the error lines as:
forrtl: severe (168): Program Exception - illegal instruction
Image PC Routine Line Source
vasp 0822404B Unknown Unknown Unknown
vasp 080B6E23 Unknown Unknown Unknown
---------------------------------------------------------------------------------------------------
The only output is:
running on 4 nodes
distr: one band on 1 nodes, 4 groups
vasp.4.6.27 26Jun05 complex
POSCAR found : 1 types and 1 ions
--------------------------------------------------------------------------------------------------
Here is the top part of the Makefile:

CPP_ = ./preprocess <$*.F | cpp -P -C -traditional >$*$(SUFFIX)

CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \
-Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
-DMPI_BLOCK=500 -DPROC_GROUP=8 \
-DRPROMU_DGEMV -DRACCMU_DGEMV
FFLAGS = -O2 -ip -xP -pc64 -unroll
OFLAG = $(FFLAGS)
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)
LAPACK = ../vasp.4.lib/lapack_double.o
ATLASHOME = /usr/lib
BLAS = -L$(ATLASHOME) -llapack -lcblas
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
FORTLIB = /usr/lib
LINK = -L$(FORTLIB) -llapack -lf77blas -latlas -limf -Vaxlib -fPCI
BLACS = /home/VaspUser/Soft/BLACS-ifort/LIB
SCA_ = /home/VaspUser/Soft/scallapack-ifort
SCA = $(SCA_)/libscalapack.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a \
$(BLACS)/LIB/blacs_MPI-LINUX-0.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a
FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
---------------------------------------------------------------------------------

Thanks for your help in advance.
Last edited by Masoud on Wed Nov 22, 2006 5:04 am, edited 1 time in total.

tjf
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Location: Leiden, Netherlands

MPI Runtime Error

#2 Post by tjf » Wed Nov 22, 2006 8:57 am

At a guess I'd say your -xP option doesn't match your CPU.
Last edited by tjf on Wed Nov 22, 2006 8:57 am, edited 1 time in total.

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