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fix-phonon example problems??? #1

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GoogleCodeExporter opened this issue Mar 13, 2015 · 1 comment
Open

fix-phonon example problems??? #1

GoogleCodeExporter opened this issue Mar 13, 2015 · 1 comment

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@GoogleCodeExporter
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1.lammps vision 20Apr11 on centos box
2.make lammps with fftw-2.1.5 and openmpi
3.when run the example(2-1D-diatomic),after relax many steps it comes out an 
error like this

[wang:03505] *** Process received signal ***
[wang:03505] Signal: Segmentation fault (11)
[wang:03505] Signal code:  (128)
[wang03505] Failing at address: (nil)
[wang:03505] [ 0] /lib64/libpthread.so.0 [0x362f20eb10]
[wang:03505] [ 1] ./lmp_13Jul11(fftw+0xc0) [0x801bb0]
[wang:03505] [ 2] 
./lmp_13Jul11(_Z6fft_3dP12fftw_complexS0_iP11fft_plan_3d+0xee) [0x567a5e]
[wang:03505] [ 3] ./lmp_13Jul11(_ZN9LAMMPS_NS9FixPhonon11end_of_stepEv+0xc0e) 
[0x5f495e]
[wang:03505] [ 4] ./lmp_13Jul11(_ZN9LAMMPS_NS6Modify11end_of_stepEv+0x71) 
[0x6a9681]
[wang:03505] [ 5] ./lmp_13Jul11(_ZN9LAMMPS_NS6Verlet3runEi+0x34f) [0x7fd89f]
[wang:03505] [ 6] ./lmp_13Jul11(_ZN9LAMMPS_NS3Run7commandEiPPc+0x4f9) [0x7cd699]
[wang:03505] [ 7] ./lmp_13Jul11(_ZN9LAMMPS_NS5Input15execute_commandEv+0x1813) 
[0x67a3c3]
[wang:03505] [ 8] ./lmp_13Jul11(_ZN9LAMMPS_NS5Input4fileEv+0x34c) [0x67b89c]
[wang:03505] [ 9] ./lmp_13Jul11(main+0x4a) [0x68630a]
[wang:03505] [10] /lib64/libc.so.6(__libc_start_main+0xf4) [0x362e61d994]
[wang:03505] [11] ./lmp_13Jul11(__gxx_personality_v0+0x309) [0x466079]
[wang:03505] *** End of error message ***
Segmentation fault


it seems to be something wrong with my fftw . My lammps vision is 20Apr11, fftw 
is 2.1.5. But it is all right without any errors before. what is the matter?  
What fftw should I use? 

Thanks for any advice.









Original issue reported on code.google.com by [email protected] on 15 Jul 2011 at 9:13

@GoogleCodeExporter
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Could you please try lammps example "peptide"; if it fails too, there must be 
something wrong with the linking against the fftw libraries.

Original comment by [email protected] on 17 Jul 2011 at 1:46

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