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yangisyoung

金虫 (小有名气)

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注册: 2013-05-08
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[求助] GROMACS运行出错了，求助中已有3人参与

大侠们，我在运行GROMACS的时候能够出现输出文件，但是mdrun_mpi迅速终止了，然后*.o文件出现这样的报错信息：

[node7:03155] *** Process received signal ***
[node7:03155] Signal: Segmentation fault (11)
[node7:03155] Signal code: Address not mapped (1)
[node7:03155] Failing at address: 0x2b4b7b6b3570
[node7:03153] *** Process received signal ***
[node7:03153] Signal: Segmentation fault (11)
[node7:03153] Signal code: Address not mapped (1)
[node7:03153] Failing at address: 0x38587920
[node7:03155] [ 0] /lib64/libpthread.so.0() [0x3fc9c0f4a0]
[node7:03155] [ 1] /public/software/gromacs-4.6.5/bin/../lib/libgmx_mpi.so.8(nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_avx_256_single+0x998) [0x2b4b6ef6cc28]
[node7:03155] [ 2] /public/software/gromacs-4.6.5/bin/../lib/libgmx_mpi.so.8(do_nonbonded+0xe51) [0x2b4b6ecac481]
[node7:03155] [ 3] /public/software/gromacs-4.6.5/bin/../lib/libmd_mpi.so.8(do_force_lowlevel+0x177c) [0x2b4b6e8ddc5c]
[node7:03155] [ 4] /public/software/gromacs-4.6.5/bin/../lib/libmd_mpi.so.8(do_force_cutsGROUP+0x1a5d) [0x2b4b6e8759bd]
[node7:03155] [ 5] mdrun_mpi(do_md+0x77f2) [0x431a52]
[node7:03155] [ 6] mdrun_mpi(mdrunner+0x1441) [0x410b71]
[node7:03155] [ 7] mdrun_mpi(cmain+0x183e) [0x43603e]
[node7:03155] [ 8] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3fc981ecdd]
[node7:03155] [ 9] mdrun_mpi() [0x407189]
[node7:03155] *** End of error message ***
[node7:03153] [ 0] /lib64/libpthread.so.0() [0x3fc9c0f4a0]
[node7:03153] [ 1] /public/software/gromacs-4.6.5/bin/../lib/libgmx_mpi.so.8(nb_kernel_ElecCSTab_VdwNone_GeomW3P1_VF_avx_256_single+0x7da) [0x2acc900d7dfa]
[node7:03153] [ 2] /public/software/gromacs-4.6.5/bin/../lib/libgmx_mpi.so.8(do_nonbonded+0xe89) [0x2acc8fe024b9]
[node7:03153] [ 3] /public/software/gromacs-4.6.5/bin/../lib/libmd_mpi.so.8(do_force_lowlevel+0x177c) [0x2acc8fa33c5c]
[node7:03153] [ 4] /public/software/gromacs-4.6.5/bin/../lib/libmd_mpi.so.8(do_force_cutsGROUP+0x1a5d) [0x2acc8f9cb9bd]
[node7:03153] [ 5] mdrun_mpi(do_md+0x77f2) [0x431a52]
[node7:03153] [ 6] mdrun_mpi(mdrunner+0x1441) [0x410b71]
[node7:03153] [ 7] mdrun_mpi(cmain+0x183e) [0x43603e]
[node7:03153] [ 8] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3fc981ecdd]
[node7:03153] [ 9] mdrun_mpi() [0x407189]
[node7:03153] *** End of error message ***
[node7:03156] *** Process received signal ***
[node7:03156] Signal: Segmentation fault (11)
[node7:03156] Signal code: Address not mapped (1)
[node7:03156] Failing at address: 0x2b8e7019c890
[node7:03156] [ 0] /lib64/libpthread.so.0() [0x3fc9c0f4a0]
[node7:03156] [ 1] /public/software/gromacs-4.6.5/bin/../lib/libgmx_mpi.so.8(nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_VF_avx_256_single+0x9b5) [0x2b8e63a45c45]
[node7:03156] [ 2] /public/software/gromacs-4.6.5/bin/../lib/libgmx_mpi.so.8(do_nonbonded+0xe51) [0x2b8e63785481]
[node7:03156] [ 3] /public/software/gromacs-4.6.5/bin/../lib/libmd_mpi.so.8(do_force_lowlevel+0x177c) [0x2b8e633b6c5c]
[node7:03156] [ 4] /public/software/gromacs-4.6.5/bin/../lib/libmd_mpi.so.8(do_force_cutsGROUP+0x1a5d) [0x2b8e6334e9bd]
[node7:03156] [ 5] mdrun_mpi(do_md+0x77f2) [0x431a52]
[node7:03156] [ 6] mdrun_mpi(mdrunner+0x1441) [0x410b71]
[node7:03156] [ 7] mdrun_mpi(cmain+0x183e) [0x43603e]
[node7:03156] [ 8] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3fc981ecdd]
[node7:03156] [ 9] mdrun_mpi() [0x407189]
[node7:03156] *** End of error message ***
--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 3153 on node node7 exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------
有谁知道这样的问题如何解决呢？

提前说声谢谢啦

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