[CP2K:4281] A memory leak?

Guanguri Qian iqiang... at gmail.com
Sat Feb 2 20:11:07 CET 2013


HI, Noam

    When i use an openmpi (version12507,  Intel composer_x3_2013.1.117 
+openmpi 1.6.3+ intel MKL + intel FFT on E5 intel CPU), there is no memory 
leak any more. 


    Thanks a lot!


Bests
Guangrui

On Friday, February 1, 2013 9:29:39 PM UTC-5, Noam Bernstein wrote:
>
> Do you have another mpi version to test? I've seen memory leaks with some 
> intel mpi versions.
>
>   Noam
>
> Sent from my iPhone
>
> On Feb 1, 2013, at 9:28 PM, Guanguri Qian <iqia... at gmail.com<javascript:>> 
> wrote:
>
> HI, all
>
>     I met a problem when running CP2K MD (version12507,  Intel 
> composer_x3_2013.1.117 + intel MPI 4.1.0.024 + intel MKL + intel FFT on E5 
> intel CPU).
>
>     When the jobs are running, the free memory of the nodes will reduce 
> quickly! Then cp2k calculations will exit with segment fault.
>     To avoid the abuse of the restart files memory usage,   SAVE_MEM  is 
> set as .TRUE.. But it still doesnt work, the memory of the nodes reduced 
> quickly as well.
>    
>     Any idea about the problem? Is this a memory leak, maybe from the 
> intel compile and libs?
>     Thanks a lot.
>     
> Bests
> Guangrui
>
> ---------------------------------
> INTEL_MKL=/opt/apps/intel/13/composer_xe_2013.1.117/mkl/
> INTEL_INC=$(INTEL_MKL)/include/fftw
> INTEL_LIB=$(INTEL_MKL)/lib/intel64
> FFTW_LIB=/home/qian/Proc/fftw3xf/
>
>
> CC       = mpiicc
> CPP      = 
> FC       = mpiifort 
> LD       = mpiifort
> AR       = ar -r
>
> DFLAGS   = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK 
> -D__FFTW3
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O3 -xhost -heap-arrays 64 
> -funroll-loops -fpp -free
> FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 -fpp -free
> LDFLAGS  = $(FCFLAGS) -I$(INTEL_INC)
> LIBS     = -L$(FFTW_LIB) -lfftw3xf_intel \
> -L${INTEL_LIB} -I${INTEL_INC} -I${INTEL_INC}/intel64/lp64 
> -lmkl_blas95_lp64 \
> -L${INTEL_LIB} -I${INTEL_INC} -I${INTEL_INC}/intel64/lp64 
> -lmkl_lapack95_lp64 \
> ${INTEL_LIB}/libmkl_scalapack_lp64.a  -Wl,--start-group 
> ${INTEL_LIB}/libmkl_intel_lp64.a ${INTEL_LIB}/libmkl_sequential.a 
> ${INTEL_LIB}/libmkl_core.a ${INTEL_LIB}/libmkl_blacs_intelmpi_lp64.a 
> -Wl,--end-group -lpthread
>
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
>
> graphcon.o: graphcon.F
> $(FC) -c $(FCFLAGS2) $<
>
>
>
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