My Community

dear all
I got the problem when use the parallel version
the four input files are ok，which can be executed ，perfectly，by the serial version。

my platform
intel XOEN 5506
redhat 6.0 64 verision
intel compiler 64
intel mke 64 version
openmpi

Probably you use the mkl libraries with openmp flavor. You can confirm this with
"ps -eLf | grep vasp" or "top" by pressing "H". The other variant is to limit the
number of openmp processes with "export OMP_NUM_THREADS=1" (in the bash). To get the correct compile options for using mkl and mpi but not openmp for *your* mkl version
http://software.intel.com/en-us/article ... e-advisor/
is very helpful. You have to choose "sequential" in the field
"Select sequential or multi-threaded version of Intel® MKL:"
To use openmpi you have to substitute -lmkl_blacs_intelmpi_lp64 with -lmkl_blacs_openmpi_lp64. In my case (ifort 11.1.069 and the resp. mkl) it works. Hope that helps to compile an openmp-free code. Otherwise you can
use the OMP_NUM_THREAD=1 option in the runtime environmen.

U.

thank you
it works