We downloaded the latest VASP and compile it with the latest Intel compiler. Without any optimization flags except -xT -ttp7 and with just default flags, I have not been able to get anything running.
Compilation created executable VASP binary but when I submitted jobs to PBS with
mpiexec -np 2 /opt/bin/vaspmpi_4000_4_04
in jobs.txt file. What I found in the error file are the following:
forrtl: error (69): process interrupted (SIGINT)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line
Source
vaspmpi_4000_4_04 0000000000B1F5AB Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000B1DA8A Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AEACF4 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AB687E Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AB881C Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AA875D Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AA88DE Unknown Unknown
Unknown
libpthread.so.0 00000032FD10C430 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000667689 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000640BD9 Unknown Unknown
Unknown
vaspmpi_4000_4_04 00000000006409D3 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000420CF7 Unknown Unknown
Unknown
vaspmpi_4000_4_04 00000000004091AA Unknown Unknown
Unknown
libc.so.6 00000032FC81C3FB Unknown Unknown
Unknown
vaspmpi_4000_4_04 00000000004090EA Unknown Unknown
Unknown
mpiexec: Warning: task 0 exited with status 174.
here is my /etc/ld.so.conf on computing and head nodes:
/usr/local/lib
/opt/intel/fce/9.1.043/lib
/opt/intel_mkl/8.1/lib/em64t
/opt/mpich/lib
/usr/local/pbs/lib
/usr/local/maui/lib
Makefile:
FC=/opt/mpich/bin/mpif90
FCL=$(FC)
FFLAGS = -FR -lowercase -assume byterecl
OFLAGS=-O3 -xT -ttp7
BLAS=-L/opt/intel_mkl/8.1/lib/em64t -lmkl_em64t -lguide -lpthread
LAPACK=-lmkl_lapack
LINK = -L/opt/intel/fce/9.1.043/lib/ -lsvml -xT
CPP= ...
LIB = ...
FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
My box is dual core dual proc Xeon 5130, CentOS.
Could somebody tell me what could be wrong?
Thank you very much.
Latest VASP and Intel Fortran 9.1.043 = weird errors?
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Latest VASP and Intel Fortran 9.1.043 = weird errors?
Last edited by midair77 on Thu Apr 05, 2007 1:48 am, edited 1 time in total.
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Latest VASP and Intel Fortran 9.1.043 = weird errors?
please first of all check if all libraries were compiled with the same compiler (release) as the code. Usually errors like these are produced by such incompatibilities
Please also check if there are any error messages before these warnings show up (like missing input files,.....)
Please also check if there are any error messages before these warnings show up (like missing input files,.....)
Last edited by admin on Mon Apr 16, 2007 11:14 am, edited 1 time in total.