[Wien] WIEN crashing on Red Hat 9.0
Griselda Garcia
ggarcia at fis.puc.cl
Fri Jul 16 23:55:14 CEST 2004
Dear WIEN Users,
We are trying to install and run the WIEN package on a PC's cluster with the
following features:
Operating system: Red Hat 9.0 with latest libc patch
Memory: 10 x 2Gb
Number of PC and processors: 10 x Dual 2.8 Xeon processors with
hyperthreading
Switch: 1 Gb Backbone on UTP
Compilers: Intel Fortran 7.0 and gcc 3.2.2
Libraries: Intel MKL 7.0 Clusters version (include scalapack, blacs, etc.)
Scalapack + Blacs + MKL 6.1
MPI version: MPICH 1.2.5 with the latest patch
WIEN configuration:
FOPT:-FR -mp -parallel
FPOPT:-parallel -FR -mp -w -I/usr/local/mpich/include -L/usr/local/mpich
-lfmpich -lmpichfsup -lmpich
LDFLAGS:-Vaxlib -lPEPCF90 -lguide
DPARALLEL:-FR -mp -I/usr/local/mpich/include
R_LIBS:-L/opt/intel/mkl70cluster/lib/32 -lmkl_scalapack -lmkl_blacs
-lmkl_blacsF77init -lmkl_lapack -lmkl_ia32 -lguide
RP_LIBS:-parallel -L/opt/intel/mkl70cluster/lib/32 -lmkl_scalapack
-lmkl_blacs -lmkl_blacsF77init -lmkl_lapack -lmkl_ia32 -lguide
MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
The program compile without errors but the problems arise when we try to run
the code for any case. All the tested cases were ran without problems in
other computers (with other hardware and software specs.).
We are having problems of different origins:
some cases hang on in single process and mpi option
others are killed by the system
others (with only one atom) are giving errors like 'LOPW Error' when the
NMATMAX is 15000
Many combination of libraries and configuration options had been tested
without success.
On the cluster of PCs we have other codes running without any problems, such
as CPMD code with MPI option.
If anyone of you have any idea about solving these troubles, please let us
know.
Regards,
Griselda Garcia
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