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[求助]
GROMACS运行出错了，求助中 已有3人参与
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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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11楼2014-03-21 15:52:42
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感谢参与，应助指数 +1
月只蓝: 金币+1, 感谢指导！ 2014-03-19 20:32:01
感谢参与，应助指数 +1
月只蓝: 金币+1, 感谢指导！ 2014-03-19 20:32:01
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本帖内容被屏蔽 |
2楼2014-03-19 11:09:28
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4楼2014-03-20 10:43:21
