24小时热门版块排行榜    

查看: 1216  |  回复: 1

04nylxb

木虫 (正式写手)

[求助] 请问有人能够贴一个在多节点并行机上运算成功的.castep输出文件吗?

att,就是在多节点cluster上,进行castep计算,成功后,会输出一个.castep的文件,我想看下一个运行成功的并行castep,输出结果都包含哪些结果,呵呵。
我自己弄的并行,现在还在跑着,发现当processor使用少于24个的时候,任务能动,但是processor多于24个,马上就failure了 (我共60个processors,每个节点4个processor)。我发现,多节点速度很慢啊。上午到现在,优化一个最简单的C的单胞,一个点都还没出来,用top查看,发现有几个节点cpu确实有的,castep.exe也在运行着。
因此想看下一个成功的并行CASTEP任务,输出结果会是啥样的,是否会告诉任务都在哪些节点上跑着?
非常感谢。
或者发我邮箱,[email]04nylxb@zju.edu.cn

(我共1个master node,15个计算node,机子比较老,每个节点内存只有2G,CPU是Intel(R) Xeon(TM) CPU 2.80GHz  )

我每个节点一个一个测试,(每次运行8个processor,一个master节点,加一个计算节点),测试下来,每个节点mpi运行正常,都能正常运算,但是一旦把所有节点都加进去,dmol能够用到24个processor,而CASTEP则不能,一旦多余24个processor,任务就马上失败了,……求指点。
CASTEP出这样的错误提示:
his version was compiled for linux on Nov 13 2008

License checkout of MS_castep successful


Pseudo atomic calculation performed for C 2s2 2p2

Converged in 17 iterations to a total energy of -145.8146 eV

Plane wave load balancing: max      0 min      0 average      0
Error basis_count_plane_waves: need to have at least 1 plane wave on each node
Current trace stack:
basis_count_plane_waves
basis_initialise
castep
Plane wave load balancing: max      0 min      0 average      0
Error basis_count_plane_waves: need to have at least 1 plane wave on each node
Current trace stack:
basis_count_plane_waves
basis_initialise
castep
Plane wave load balancing: max      0 min      0 average      0
Error basis_count_plane_waves: need to have at least 1 plane wave on each node
Current trace stack:
basis_count_plane_waves
basis_initialise
castep
Plane wave load balancing: max      0 min      0 average      0
Error basis_count_plane_waves: need to have at least 1 plane wave on each node
Current trace stack:
basis_count_plane_waves
basis_initialise
castep
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
Plane wave load balancing: max      0 min      0 average      0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 3 pid 23954 on host master to cpu 3
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 1 pid 23952 on host master to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 11 pid 13852 on host node2 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 17 pid 22591 on host node4 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 16 pid 22590 on host node4 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 15 pid 12642 on host node3 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 13 pid 12640 on host node3 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 22 pid 10715 on host node5 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 9 pid 13850 on host node2 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 10 pid 13851 on host node2 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 8 pid 13849 on host node2 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 0 pid 23951 on host master to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 2 pid 23953 on host master to cpu 2
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 21 pid 10714 on host node5 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 23 pid 10716 on host node5 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 18 pid 22592 on host node4 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 19 pid 22593 on host node4 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 14 pid 12641 on host node3 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 12 pid 12639 on host node3 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 20 pid 10713 on host node5 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 4 pid 29981 on host node1 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 6 pid 29983 on host node1 to cpu 0
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 7 pid 29984 on host node1 to cpu 1
MPI_CPU_AFFINITY set to RANK, setting affinity of rank 5 pid 29982 on host node1 to cpu 1
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
warning:regcache incompatible with malloc
MPI Application rank 3 exited before MPI_Finalize() with status 1
forrtl: severe (40): recursive I/O operation, unit 10, file unknown
Image              PC        Routine            Line        Source            
castepexe_mpi.exe  0957C173  Unknown               Unknown  Unknown
castepexe_mpi.exe  0957B793  Unknown               Unknown  Unknown
castepexe_mpi.exe  0953041A  Unknown               Unknown  Unknown
castepexe_mpi.exe  094F0CD4  Unknown               Unknown  Unknown
castepexe_mpi.exe  09525D9E  Unknown               Unknown  Unknown
castepexe_mpi.exe  080DB666  Unknown               Unknown  Unknown
castepexe_mpi.exe  094EBD37  Unknown               Unknown  Unknown
castepexe_mpi.exe  0950280A  Unknown               Unknown  Unknown
castepexe_mpi.exe  095251B5  Unknown               Unknown  Unknown
castepexe_mpi.exe  084AC8E3  Unknown               Unknown  Unknown
castepexe_mpi.exe  084B4575  Unknown               Unknown  Unknown
castepexe_mpi.exe  08F5DF3A  Unknown               Unknown  Unknown
castepexe_mpi.exe  080503A5  Unknown               Unknown  Unknown
libc.so.6          003D6E9C  Unknown               Unknown  Unknown
castepexe_mpi.exe  080502E1  Unknown               Unknown  Unknown
forrtl: severe (40): recursive I/O operation, unit 10, file unknown
Image              PC        Routine            Line        Source            
castepexe_mpi.exe  0957C173  Unknown               Unknown  Unknown
castepexe_mpi.exe  0957B793  Unknown               Unknown  Unknown
castepexe_mpi.exe  0953041A  Unknown               Unknown  Unknown
castepexe_mpi.exe  094F0CD4  Unknown               Unknown  Unknown
castepexe_mpi.exe  09525D9E  Unknown               Unknown  Unknown
castepexe_mpi.exe  080DB666  Unknown               Unknown  Unknown
castepexe_mpi.exe  094EBD37  Unknown               Unknown  Unknown
castepexe_mpi.exe  0950280A  Unknown               Unknown  Unknown
castepexe_mpi.exe  095251B5  Unknown               Unknown  Unknown
castepexe_mpi.exe  084AC8E3  Unknown               Unknown  Unknown
castepexe_mpi.exe  084B4575  Unknown               Unknown  Unknown
castepexe_mpi.exe  08F5DF3A  Unknown               Unknown  Unknown
castepexe_mpi.exe  080503A5  Unknown               Unknown  Unknown
libc.so.6          003D6E9C  Unknown               Unknown  Unknown
castepexe_mpi.exe  080502E1  Unknown               Unknown  Unknown
forrtl: severe (40): recursive I/O operation, unit 10, file unknown
Image              PC        Routine            Line        Source            
castepexe_mpi.exe  0957C173  Unknown               Unknown  Unknown
castepexe_mpi.exe  0957B793  Unknown               Unknown  Unknown
castepexe_mpi.exe  0953041A  Unknown               Unknown  Unknown
castepexe_mpi.exe  094F0CD4  Unknown               Unknown  Unknown

[ Last edited by 04nylxb on 2011-6-23 at 15:46 ]
回复此楼
集中精力发文章
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

04nylxb

木虫 (正式写手)

att,求一个成功的并行计算CASTEP输出结果文件,主要看下成功的并行计算应该是啥样子的.castep文件,呵呵。
集中精力发文章
2楼2011-06-24 10:34:45
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 04nylxb 的主题更新
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[公派出国] 售SCI一区文章,我:8.O.551.O.5.4,科目全,可伽急 +3 PbwVEMK5haaE 2026-08-25 4/200 2026-08-26 03:20 by cNXvBfCpiZOM
[考博] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 +3 Qj98d49dHFb9 2026-08-25 4/200 2026-08-26 03:08 by cNXvBfCpiZOM
[考研] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 +3 7K1CJE38xLG4 2026-08-25 4/200 2026-08-26 02:04 by cNXvBfCpiZOM
[论文投稿] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 +3 7K1CJE38xLG4 2026-08-25 4/200 2026-08-26 02:04 by cNXvBfCpiZOM
[基金申请] 2026年8月25日国自然放榜前突然收到列入评审专家邮件,有关系吗? +17 木水思豆 2026-08-25 20/1000 2026-08-26 01:26 by chengyan1220
[基金申请] 今天务委会开完了,明天出结果吗 +18 angus9576 2026-08-25 22/1100 2026-08-26 00:41 by merchancy
[基金申请] 在坚冰还盖着北海的时候,我看到了怒放的梅花。 (金币+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[基金申请] 放榜前的不淡定 20+4 snowwithsea 2026-08-19 19/950 2026-08-25 17:57 by chick875
[基金申请] 某些机构,以效率低为荣,以效率低作为存在感 +9 yuleib84 2026-08-25 10/500 2026-08-25 17:14 by alexon
[基金申请] 2026国自然函评费到账 +20 羊腰板 2026-08-21 23/1150 2026-08-25 16:34 by zsna
[基金申请] 今日不放榜?网传国自然预计 8 月 27 日可查结果 +17 医学老男孩 2026-08-20 22/1100 2026-08-25 15:36 by 医学老男孩
[基金申请] 如果此刻你正在为国基感到焦虑,不妨来听听这首《基金之外》 +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
[基金申请] 没有任何消息-是不是就凉了 +9 图啦图啦 2026-08-24 10/500 2026-08-25 11:59 by 南海小哥
[基金申请] 人气不行了 +11 fansofjerry 2026-08-21 11/550 2026-08-25 11:04 by 孤独的英雄6
[教师之家] 导师吐槽:我怎么摊上了这么个极品研究生! +3 苏东坡二世 2026-08-23 3/150 2026-08-25 10:35 by shisan1313
[基金申请] 我面上完蛋了 +13 且听虎啸 2026-08-20 14/700 2026-08-25 09:10 by mrkang
[基金申请] 范进中举一文的中心思想 +7 炎黄贵胄 2026-08-22 8/400 2026-08-25 08:48 by ZJTJZ
[基金申请] 时间戳今天,20号变了 +5 archvillain 2026-08-20 5/250 2026-08-22 06:12 by hui_daxiao
[基金申请] 看来今天不会放榜了? +8 chengyan1220 2026-08-21 11/550 2026-08-21 17:52 by dcqxinyang
[基金申请] 今天放榜没戏了吧 +9 yuleib84 2026-08-19 11/550 2026-08-21 10:06 by gltch
信息提示
请填处理意见