Top Page > Browsing

openmx suspected memory leak? Date: 2009/05/20 19:00 Name: Alin M Elena   <alin.elena@ichec.ie> Hi, I try to run a big size geometry optimization with openmx 3.4.4 containing 3 species and 626 atoms (Si, H, P). The code is compiled with intel c compiler 11.0.83 linked against fftw 3.2, mkl 10.1.2.024 mvapich2-1.2p1. I run it in hybrid mode with 2 mpi processes and 4 openmp threads each on 32 nodes each with 8 processors export MKL_NUM_THREADS=4 export MV2_ENABLE_AFFINITY=0 mpiexec -npernode 2 openmx inp.dat -nt 4 > out The program crashes after 21 hours with a segfault (We suspect a memory exhaustion on the system 16GiB). The ,memory files report approx 2GiB usage each. The memory usage increases gradually during the run. Any hints? regards, Alin

Page: [1]