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【求助】Performing VASP: mpich2 someties breaks down 已有5人参与
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前面我发个同样的贴，可是问题没有得到解决。比较急，希望大家能够帮助下，谢谢! 我在RHEL 5.4; mpich2-1.2.1p1;pgi-9.0.1;双核Xeon E5504 (intel CPU)环境下跑并行的vasp。有些作业，能够正常并行计算（使用命令：mpiexec -n 8 vasp.pgi >out& or mpiexec -n 8 vasp.pgi out& or mpiexec -n 8 vasp.pgi ，有些作业却不能运行（我安装mpich2-1.2.p1), pgi.9.0.1没有问题），这时程序读了INCAR，POTCAR，POSCAR和KPOINTS文件后，屏幕提示如下的错误： ---------------------------------------------------------------------- running on 8 nodes distr: one band on 1 nodes, 8 groups vasp.4.6.21 23Feb03 complex POSCAR found : 3 types and 30 ions LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro POSCAR, INCAR and KPOINTS ok, starting setup WARNING: wrap around errors must be expected mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & FFT: planning ... 2 reading WAVECAR mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & mpiexec_qltang1 (handle_stdin_input 1089): stdin problem; if pgm is run in background, redirect from /dev/null mpiexec_qltang1 (handle_stdin_input 1090): e.g.: mpiexec -n 4 a.out < /dev/null & WARNING: random wavefunctions but no delay for mixing, default for NELMDL entering main loop N E dE d eps ncg rms rms(c) rank 6 in job 36 qltang1_54199 caused collective abort of all ranks exit status of rank 6: killed by signal 9 rank 3 in job 36 qltang1_54199 caused collective abort of all ranks exit status of rank 3: killed by signal 9 希望能得到帮助，谢谢！ |
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根据valenhou001的建议， 1）利用ulimit命令，我检查了stack size,而且挑高了stack size,结果也出现类似的报错信息。 2）在makefile里修改OFLAG为：OFLAG = -O2 -tp nehalem-64 -fastsse -Bstatic，结果不能编通VASP,出现如下报错： ..................... diolib.f:(.text+0xf21): undefined reference to `for_inquire' diolib.f:(.text+0xf97): undefined reference to `for_inquire' diolib.f:(.text+0x1004): undefined reference to `for_inquire' ...............................(省略）.................................................. drdatab.f:(.text+0x389): undefined reference to `for_read_seq_fmt' drdatab.f:(.text+0x423): undefined reference to `for_concat' drdatab.f:(.text+0x560): undefined reference to `for_cpystr' drdatab.f:(.text+0x5ca): undefined reference to `for_cpystr' drdatab.f:(.text+0x695): undefined reference to `for_cpstr' drdatab.f:(.text+0x711): undefined reference to `for_cpystr' drdatab.f:(.text+0x78d): undefined reference to `for_cpystr' drdatab.f:(.text+0x7ae): undefined reference to `for_cpystr' drdatab.f:(.text+0x7fa): undefined reference to `for_cpystr' drdatab.f:(.text+0x854): undefined reference to `for_cpystr' drdatab.f:(.text+0x91b): undefined reference to `for_cpstr' drdatab.f:(.text+0x99f): undefined reference to `for_cpystr' drdatab.f:(.text+0xa35): undefined reference to `for_cpystr' drdatab.f:(.text+0xa66): undefined reference to `for_cpystr' drdatab.f:(.text+0xad3): undefined reference to `for_cpystr' drdatab.f:(.text+0xba5): undefined reference to `for_f90_index' drdatab.f:(.text+0xc4c): undefined reference to `for_cpstr' drdatab.f:(.text+0xdfd): undefined reference to `for_concat' drdatab.f:(.text+0xea1): undefined reference to `for_concat' drdatab.f:(.text+0xf45): undefined reference to `for_concat' drdatab.f:(.text+0x10bb): undefined reference to `for_cpystr' drdatab.f:(.text+0x11e9): undefined reference to `for_read_int_lis' drdatab.f:(.text+0x1272): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x12ed): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x1326): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x13c8): undefined reference to `for_read_int_lis' drdatab.f:(.text+0x1451): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x14cc): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x1505): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x15a7): undefined reference to `for_read_int_lis' drdatab.f:(.text+0x1634): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x16b3): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x16ec): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x178e): undefined reference to `for_read_int_lis' drdatab.f:(.text+0x1817): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x1892): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x18cb): undefined reference to `for_read_int_lis_xmit' drdatab.f:(.text+0x19a3): undefined reference to `for_open' drdatab.f:(.text+0x1a41): undefined reference to `for_write_seq_fmt' drdatab.f:(.text+0x1a72): undefined reference to `for_rewind' drdatab.f:(.text+0x1aca): undefined reference to `for_read_seq_lis' drdatab.f:(.text+0x1b53): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1bce): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1c07): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1c93): undefined reference to `for_read_seq_lis' drdatab.f:(.text+0x1d1c): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1d97): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1dd0): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1e5c): undefined reference to `for_read_seq_lis' drdatab.f:(.text+0x1ee9): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1f68): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x1fa1): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x202d): undefined reference to `for_read_seq_lis' drdatab.f:(.text+0x20b6): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x2131): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x216a): undefined reference to `for_read_seq_lis_xmit' drdatab.f:(.text+0x21cd): undefined reference to `for_close' drdatab.f:(.text+0x2251): undefined reference to `for_close' drdatab.f:(.text+0x22a9): undefined reference to `for_close' make: *** [vasp] Error 2 不知问题又出在哪里，谢谢！ |
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3楼2010-06-17 15:23:13
valenhou001
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4楼2010-06-17 15:33:53