Latest VASP and Intel Fortran 9.1.043 = weird errors?
Posted: Thu Apr 05, 2007 1:48 am
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=$(FC)
FFLAGS = -FR -lowercase -assume byterecl
OFLAGS=-O3 -xT -ttp7
BLAS=-L/opt/intel_mkl/8.1/lib/em64t -lmkl_em64t -lguide -lpthread
LAPACK=-lmkl_lapack
LINK = -L/opt/intel/fce/9.1.043/lib/ -lsvml -xT
CPP= ...
LIB = ...
FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
My box is dual core dual proc Xeon 5130, CentOS.
Could somebody tell me what could be wrong?
Thank you very much.
Compilation created executable VASP binary but when I submitted jobs to PBS with
mpiexec -np 2 /opt/bin/vaspmpi_4000_4_04
in jobs.txt file. What I found in the error file are the following:
forrtl: error (69): process interrupted (SIGINT)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line
Source
vaspmpi_4000_4_04 0000000000B1F5AB Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000B1DA8A Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AEACF4 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AB687E Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AB881C Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AA875D Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000AA88DE Unknown Unknown
Unknown
libpthread.so.0 00000032FD10C430 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000667689 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000640BD9 Unknown Unknown
Unknown
vaspmpi_4000_4_04 00000000006409D3 Unknown Unknown
Unknown
vaspmpi_4000_4_04 0000000000420CF7 Unknown Unknown
Unknown
vaspmpi_4000_4_04 00000000004091AA Unknown Unknown
Unknown
libc.so.6 00000032FC81C3FB Unknown Unknown
Unknown
vaspmpi_4000_4_04 00000000004090EA Unknown Unknown
Unknown
mpiexec: Warning: task 0 exited with status 174.
here is my /etc/ld.so.conf on computing and head nodes:
/usr/local/lib
/opt/intel/fce/9.1.043/lib
/opt/intel_mkl/8.1/lib/em64t
/opt/mpich/lib
/usr/local/pbs/lib
/usr/local/maui/lib
Makefile:
FC=/opt/mpich/bin/mpif90
FCL=$(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.