[CP2K:2696] the cp2k program(cp2k.popt) stops output but computing nodes are all still running.

Jen-Chang Chen jencha... at gmail.com
Tue May 4 21:39:37 UTC 2010

Dear cp2k folks,
I just compiled parallel version of cp2k (CP2K version 2.1.239) on the SLES
10 SP2 with Intel compiler 10, Intel MKL 10 (using FFT_SG, MKL blacs,
MKL_lapack, MKL_fftw3xf, MKL_scalapck) and mvapich2-1.2 (infiniBand). I can
run the QS examples without any problems. However, I met a strange stuff in
the benchmark test on H2O-512 with long time steps (STEPS 1000). The output
stops at step 141 (both the same step in H2O-512-1.ener and H2O-512.out).
However, I checked all the computing nodes. All the 'cp2k.popt' process are
stilling running and each computing nodes can touch output directory without
problems. I try to run another job with long time steps and the output still
stops at some step (not exact at 141 step). There are no error messages from
the stdout or stderr. Does anyone meet this condition before? Any
information would be grateful.
Thank you very much.
Jen-Chang Chen

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