<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto"><div>Do you have another mpi version to test? I've seen memory leaks with some intel mpi versions.</div><div><br></div>
<div> Noam<br><br>Sent from my iPhone</div><div><br>On Feb 1, 2013, at 9:28 PM, Guanguri Qian <<a href="mailto:iqiang...@gmail.com">iqiang...@gmail.com</a>> wrote:<br><br></div><blockquote type="cite"><div>
HI, all<div><br></div><div> 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).</div><div><br></div><div> When the jobs are running, the free memory of the nodes will reduce quickly! Then cp2k calculations will exit with segment fault.</div>
<div> 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.</div><div> </div><div> Any idea about the problem? Is this a memory leak, maybe from the intel compile and libs?</div>
<div> Thanks a lot.</div><div> </div><div>Bests</div><div>Guangrui</div><div><br></div><div>---------------------------------</div><div><div>INTEL_MKL=/opt/apps/intel/13/composer_xe_2013.1.117/mkl/</div><div>INTEL_INC=$(INTEL_MKL)/include/fftw</div>
<div>INTEL_LIB=$(INTEL_MKL)/lib/intel64</div><div>FFTW_LIB=/home/qian/Proc/fftw3xf/</div><div><br></div><div><br></div><div>CC = mpiicc</div><div>CPP = </div><div>FC = mpiifort </div><div>LD = mpiifort</div>
<div>AR = ar -r</div><div><br></div><div>DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3</div><div>CPPFLAGS =</div><div>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -xhost -heap-arrays 64 -funroll-loops -fpp -free</div>
<div>FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 -fpp -free</div><div>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)</div><div>LIBS = -L$(FFTW_LIB) -lfftw3xf_intel \</div><div>-L${INTEL_LIB} -I${INTEL_INC} -I${INTEL_INC}/intel64/lp64 -lmkl_blas95_lp64 \</div>
<div>-L${INTEL_LIB} -I${INTEL_INC} -I${INTEL_INC}/intel64/lp64 -lmkl_lapack95_lp64 \</div><div>${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 ${INTEL_LIB}/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group -lpthread</div>
<div><br></div><div><br></div><div>OBJECTS_ARCHITECTURE = machine_intel.o</div><div><br></div><div><br></div><div>graphcon.o: graphcon.F</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>$(FC) -c $(FCFLAGS2) $<</div>
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