Some problem about running cp2k with openmpi

Zhaobin Ding dzbsh... at gmail.com
Fri Mar 18 10:30:53 UTC 2011


Dear all,
    I am new for cp2k. After successfully compiled popt version of
cp2k using gfortran , I did the test:

    mpirun.openmpi -n 4 ./do_regtest

    Then it returns a lot of error message such as:

     <<<<<<<<<<<<<<<<< /home/ding/rt/TEST-Linux-x86-64-gfortran-
popt-2011-03-18T16:10:33+0800/tests/Fist/regtest-7
[ding-OptiPlex-960:06277] [[23933,1],0] routed:binomial: Connection to
lifeline [[23933,0],0] lost
[ding-OptiPlex-960:06303] [[23933,1],0] routed:binomial: Connection to
lifeline [[23933,0],0] lost
[ding-OptiPlex-960:06312] [[23933,1],0] routed:binomial: Connection to
lifeline [[23933,0],0] lost
[ding-OptiPlex-960:06325] [[23933,1],0] routed:binomial: Connection to
lifeline [[23933,0],0] lost
[ding-OptiPlex-960:06334] [[23933,1],0] routed:binomial: Connection to
lifeline [[23933,0],0] lost



    Next I run my own project, and it returns:

 ding at ding-OptiPlex-960:~/cp2k/tests/QS$ mpirun.openmpi -n 2 ~/cp2k/
exe/Linux-x86-64-gfortran/cp2k.popt -i RhCO-opt.inp -o RhCO-opt-x2.out
 CP2K| sum of local cols not equal global cols/home/ding/cp2k/
makefiles/../src/cp_fm_struct.F line    265
 CP2K| Abnormal program termination, stopped by process number 0
[ding-OptiPlex-960:07331] *** Process received signal ***
[ding-OptiPlex-960:07331] Signal: Aborted (6)
[ding-OptiPlex-960:07331] Signal code:  (-6)
[ding-OptiPlex-960:07331] [ 0] /lib/libc.so.6(+0x33c20)
[0x7fce9be23c20]
[ding-OptiPlex-960:07331] [ 1] /lib/libc.so.6(gsignal+0x35)
[0x7fce9be23ba5]
[ding-OptiPlex-960:07331] [ 2] /lib/libc.so.6(abort+0x180)
[0x7fce9be276b0]
[ding-OptiPlex-960:07331] [ 3] /usr/lib/libgfortran.so.3(+0xb80de)
[0x7fce9c6c40de]
[ding-OptiPlex-960:07331] [ 4] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0xd19f4b]
[ding-OptiPlex-960:07331] [ 5] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x6675d9]
[ding-OptiPlex-960:07331] [ 6] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x41107d]
[ding-OptiPlex-960:07331] [ 7] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x41128b]
[ding-OptiPlex-960:07331] [ 8] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0xf916ef]
[ding-OptiPlex-960:07331] [ 9] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x88b4ac]
[ding-OptiPlex-960:07331] [10] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x79c8bd]
[ding-OptiPlex-960:07331] [11] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x14fe0d7]
[ding-OptiPlex-960:07331] [12] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x1503d9b]
[ding-OptiPlex-960:07331] [13] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x888e83]
[ding-OptiPlex-960:07331] [14] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x439e6f]
[ding-OptiPlex-960:07331] [15] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x40cb82]
[ding-OptiPlex-960:07331] [16] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x41049d]
[ding-OptiPlex-960:07331] [17] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x40531e]
[ding-OptiPlex-960:07331] [18] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x1f2f23a]
[ding-OptiPlex-960:07331] [19] /lib/libc.so.6(__libc_start_main+0xfe)
[0x7fce9be0ed8e]
[ding-OptiPlex-960:07331] [20] /home/ding/cp2k/exe/Linux-x86-64-
gfortran/cp2k.popt() [0x404ed9]
[ding-OptiPlex-960:07331] *** End of error message ***

          So I'd like to know what's wrong with my cp2k and how to
solve the problem.
          Thanks for your help!

Best wishes.
Ding Zhaobin


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