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Memory leak with Intel MPI

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Hi.

I compiled Siesta 3.2 (http://departments.icmab.es/leem/siesta) with the Intel Compiler 14.0, Intel MPI 4.1.3 and MKL 11.2.3. The compilation runs fine but when I start a longer computation the memory usage increases up to the point when no free RAM is left and the program crashes.

Here is a picture of a profile run:

 

In contrast here is the same computation when Siesta is compiled with OpenMPI 1.8:

This Problem only appears when running on multiple nodes. On a single node the computation with Intel MPI runs fine and is 30% faster than with OpenMPI.

Here are my compilation flags:

-O0 -heap-arrays  -g -traceback -xHost -fpp -fltconsistency

and the linker flags:

${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_sequential.a -Wl,--end-group ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a -lpthread -lm

The same problem happens with Intel Compiler 15.0 and with IMPI 5.0.3 so it doesn't seem to be dependent on the specific versions. Are there any flags I could try? If you need more information about my setup please ask.

Thanks
Matthias


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