24小时热门版块排行榜    

查看: 2038  |  回复: 6

wnryc

新虫 (初入文坛)

[交流] 【求助】跑vasp时, mpich2运行有时有问题 已有4人参与

Hi, All

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& 或者mpiexec -n 8 vasp.pgi   out&,有些作业却不能运行(我安装mpich2, 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
----------------------------------------------------------
不知道这是什么原因。苦恼了很久,特请大家帮忙解决下,谢谢!
回复此楼
Dr.Qian-LinTang
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

gump_813276

铜虫 (小有名气)

★ ★
小木虫(金币+0.5):给个红包,谢谢回帖交流
aylayl08(金币+1):谢谢讨论 2010-08-01 07:57:38
mpiexec -n 8 vasp.pgi   out&
你确定 试试mpiexec -n 8 vasp.pgi  &> out&
2楼2010-06-15 19:34:54
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wnryc

新虫 (初入文坛)

命令确实是mpiexec -n 8 vasp.pgi   out&或mpiexec -n 8 vasp.pgi  >out&

我按照你的:mpiexec -n 8 vasp.pgi  &> out&,结果也出现同样的报错信息:
--------------------------------------------
[qltang@qltang1 pgi]$ vi out
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)
Assertion failed in file /opt/software/tmp/mpich2-1.2.1p1/src/mpid/ch3/channels/nemesis/nemesis/include/mpid_nem_inline.h at line 728: local_rank < MPID_nem_mem_region.num_local
internal ABORT - process 1
rank 5 in job 44  qltang1_54199   caused collective abort of all ranks
  exit status of rank 5: killed by signal 11
rank 1 in job 44  qltang1_54199   caused collective abort of all ranks
  exit status of rank 1: return code 1
------------------------------------------------------------

我注意到报错信息里有这样一句话:“Assertion failed in file /opt/software/tmp/mpich2-1.2.1p1/src/mpid/ch3/channels/nemesis/nemesis/include/mpid_nem_inline.h at line 728: local_rank < MPID_nem_mem_region.num_local”。不知道mpich2为什么有时会出现这样的错误?

请达人指教,谢谢!
Dr.Qian-LinTang
3楼2010-06-15 20:27:34
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

jghe

金虫 (著名写手)

★ ★
小木虫(金币+0.5):给个红包,谢谢回帖交流
aylayl08(金币+1):谢谢提示 2010-08-01 07:57:52
你的命令的确挺怪的
我用的是 mpirun -np 8 vasp>vasp.out&
4楼2010-06-15 22:19:39
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

wnryc

新虫 (初入文坛)


xiaohunhun(金币+1):等着解答,你金币真的少的惨烈,呵呵 2010-06-16 20:32:05
从报错信息看,不是mpiexec (or mpirun)命令的问题,因该是mpich里面有问题,请各楼主帮忙啊!
Dr.Qian-LinTang
5楼2010-06-16 09:37:55
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

ApolloYang

木虫 (正式写手)


小木虫(金币+0.5):给个红包,谢谢回帖交流
服务器意外断电后 也出现了此类问题

还没解决~
6楼2010-07-31 10:51:54
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

ApolloYang

木虫 (正式写手)


小木虫(金币+0.5):给个红包,谢谢回帖交流
引用回帖:
Originally posted by ApolloYang at 2010-07-31 10:51:54:
服务器意外断电后 也出现了此类问题

还没解决~

重启服务器后 问题已解决
7楼2010-07-31 20:15:33
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 wnryc 的主题更新
普通表情 高级回复 (可上传附件)
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考研] 08工学调剂 +4 用户573181 2026-03-20 4/200 2026-03-20 10:32 by 朗月清风1
[考研] 288求调剂 +15 于海海海海 2026-03-19 15/750 2026-03-19 22:41 by 学员8dgXkO
[考博] 申博26年 +3 八6八68 2026-03-19 3/150 2026-03-19 19:43 by nxgogo
[考研] 材料与化工求调剂 +7 为学666 2026-03-16 7/350 2026-03-19 14:48 by 尽舜尧1
[考研] 求调剂,一志愿:南京航空航天大学大学 ,080500材料科学与工程学硕,总分289分 +3 @taotao 2026-03-19 3/150 2026-03-19 14:07 by peike
[考研] 328求调剂,英语六级551,有科研经历 +4 生物工程调剂 2026-03-16 12/600 2026-03-19 11:10 by 生物工程调剂
[考研] 一志愿985,本科211,0817化学工程与技术319求调剂 +10 Liwangman 2026-03-15 10/500 2026-03-19 10:25 by 无际的草原
[考研] 0703化学 305求调剂 +4 FY_yy 2026-03-14 4/200 2026-03-19 05:54 by anny19840123
[考研] 311求调剂 +4 冬十三 2026-03-18 4/200 2026-03-18 21:47 by 尽舜尧1
[考研] 344求调剂 +6 knight344 2026-03-16 7/350 2026-03-18 20:13 by walc
[考研] 0703化学求调剂 总分331 +3 ZY-05 2026-03-13 3/150 2026-03-18 10:58 by macy2011
[考研] 0703化学调剂 +3 妮妮ninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[考研] 一志愿苏州大学材料工程(085601)专硕有科研经历三项国奖两个实用型专利一项省级立项 +6 大火山小火山 2026-03-16 8/400 2026-03-17 15:05 by 无懈可击111
[考研] 11408 一志愿西电,277分求调剂 +3 zhouzhen654 2026-03-16 3/150 2026-03-17 07:03 by laoshidan
[考研] 东南大学364求调剂 +5 JasonYuiui 2026-03-15 5/250 2026-03-16 21:28 by 木瓜膏
[考研] 318求调剂 +3 Yanyali 2026-03-15 3/150 2026-03-16 16:41 by houyaoxu
[考研] 304求调剂 +3 曼殊2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[考研] 326求调剂 +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[考研] 085601材料工程315分求调剂 +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[考研] 304求调剂 +7 7712b 2026-03-13 7/350 2026-03-13 21:42 by peike
信息提示
请填处理意见