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wnryc

新虫 (初入文坛)

[交流] 【求助】Performing VASP: mpich2 someties breaks down 已有5人参与

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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Dr.Qian-LinTang
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valenhou001

至尊木虫 (职业作家)

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小木虫(金币+0.5):给个红包,谢谢回帖交流
hedaors(金币+2):Thanks 2010-06-25 18:55:22
1、先用命令ulimit -a检查前面帖子有人提到的stack size

http://rcsg.rice.edu/rcsg/shared/ulimit.html
http://compute.cnr.berkeley.edu/cgi-bin/man-cgi?ulimit+2

2、检查你的cpu芯片的型号,如果是Intel Quad-Core Core i7 (Nehalem) 64-bit mode
也可以试试专门针对这种芯片的cpu以及pgi 9.0-1版本:
-tp nehalem-64 -fastsse -Bstatic
17楼2010-06-25 18:37:38
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gump_813276

铜虫 (小有名气)

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小木虫(金币+0.5):给个红包,谢谢回帖交流
zzy870720z(金币+1):谢谢指点 2010-06-17 12:26:05
我上次回的你试了吗?
上面说的是 stdin problem
所以我觉得 你的第一个命令是对的mpiexec -n 8 vasp.pgi >out&
你试试 还有问题的话再说
2楼2010-06-17 12:19:32
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wnryc

新虫 (初入文坛)

不是mpiexec命令的问题,上面都拭了,出现同样的error message
Dr.Qian-LinTang
3楼2010-06-17 15:23:13
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valenhou001

至尊木虫 (职业作家)

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小木虫(金币+0.5):给个红包,谢谢回帖交流
zzy870720z(金币+1):谢谢指导 2010-06-17 18:33:36
#/bin/sh
mpdtrace -l
# Check the connectivity.
mpdringtest 100

mpiexec -n  2    vasp的路径    >  out 2>& 1

mpdallexit


试试上面的。
4楼2010-06-17 15:33:53
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