Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3944  |  »Ø¸´: 9
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

Prettyswan

ľ³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿ÈçºÎʹÓÃopenmpiÔÚ¶à½Úµã²¢ÐмÆË㣿 ÒÑÓÐ3È˲ÎÓë

¼¯ÈºÉÏʹÓõÄÊÇopenmpi£¬PBSÓеãÎÊÌ⣬ËùÒÔÎÒÒ»Ö±ÓÃÃüÁî¡°mpirun -np 8 vasp¡±Ìá½»ÈÎÎñ¡£²»ÖªµÀÈçºÎʹÓÃÃüÁî½øÐжà½ÚµãµÄ²¢ÐмÆË㣨°ÑÒ»¸öÈÎÎñ·ÖÅäµ½¶à¸ö½ÚµãÉÏ£©¡£
ÔÚ¡¶²¢ÐмÆËãµ¼ÂÛ¡·Éϲ鵽¹ØÓÚmpichµÄʹÓãº
ÒýÓûØÌû:
5. ÔËÐÐMPICH³ÌÐò
¶à»ú»·¾³ÖÐÔËÐÐMPICH³ÌÐòÓëµ¥»ú»·¾³ÀàËÆ£¬¿ÉÒÔÓÃmpirunÀ´½øÐС£ÔËÐгÌÐòǰÏÈ´´½¨Ò»¸ömachinefileÎļþ£¬ÆäÖÐÁгöҪʹÓõĽáµã»úÃû£¬È»ºóÓÃÃüÁî¡°mpirun -machinefile ÎļþÃû ...¡±À´ÔÚÖ¸¶¨µÄ½áµãÉÏÔËÐгÌÐò¡£ÀýÈ磬¼ÙÉèÓû§µÇ¼ÔÚ½áµãnode2ÉÏ£¬ÎļþmfileÖаüº¬ÏÂÊöÄÚÈÝ£º
node3
node4
ÔòÃüÁ
mpirun -machinefile mfile -np 3 cpi
½«ÓÃnode2£¬node3 ºÍnode4À´ÔËÐгÌÐòcpi£¬Ã¿¸ö½áµãÒ»¸ö½ø³Ì£¬ÕâÊÇÒòΪĬÈÏÇé¿öÏÂmpirun×ÜÊǽ«µ±Ç°½áµãÌí¼Óµ½³ÌÐòµÄ½áµã»úÁбíÖС£Èç¹û²»Ï£ÍûʹÓõ±Ç°½áµã(node2)£¬¿ÉÒÔ¼ÓÉÏ-nolocalÑ¡Ï
mpirun -nolocal -machinefile mfile -np 3 cpi
Ñ¡Ïî-np¸ø³öµÄ½ø³ÌÊýÓë-machinefile¸ø³öµÄÎļþÖеĽáµã»úÊý²»Ò»¶¨ÒªÏàµÈ¡£Èç¹û½ø³ÌÊýÉÙÓÚ½áµã»úÊý£¬Ôò³ÌÐòֻʹÓÃÆäÖеÄÒ»²¿·Ö½áµã¡£Èç¹û½ø³ÌÊý¶àÓÚ½áµã»úÊý£¬ÔòһЩ½áµãÉÏ»áÔËÐжàÓÚÒ»¸ö½ø³Ì¡£

ÎҲο¼×ÅʹÓÃÁËÒ»ÏÂ
CODE:
[zhuqx_hp@node3 Se]$ nohup /home/software/openmpi-1.2.2-intel9/bin/mpirun -machiefile INCAR KPOINTS POTCAR POSCAR -np 8 /home/bin/vasp.openmpi >out

½á¹û±¨´íÁË
ÒýÓûØÌû:
--------------------------------------------------------------------------
Open RTE detected a parse error in the hostfile:
    INCAR
It occured on line number 1 on token 3.
--------------------------------------------------------------------------
[node3:26677] [0,0,0] ORTE_ERROR_LOG: Error in file rmgr_urm.c at line 358
[node3:26677] mpirun: spawn failed with errno=-1

machinefile£º
ÒýÓûØÌû:
node2
node4
node5
node6
node7

Çë½ÌÁË¡£Ð»Ð»

[ Last edited by Prettyswan on 2010-7-7 at 15:38 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

goldenfisher

½ð³æ (ÖøÃûдÊÖ)

¡ï ¡ï
zzy870720z(½ð±Ò+2):ллָµã 2010-07-08 17:18:55
½ÚµãµÄÃû³ÆÓпÉÄܲ»Ò»Ñù£¬ÄãµÄ¼¯ÈºµÄ¸÷¸ö½ÚµãÄãҪȷÈÏÊÇÒÔnodeÃüÃûµÄÂð£¿
ÎÒÃǵľͲ»ÊÇ£¬ÊÇÒÔcompute-1ÃüÃûµÄ¡£
ÄãµÄÇé¿öÊÇÕÒ²»µ½·Ö½Úµã£¬¹À¼ÆÄãµÄÃüÃûÓÐÎÊÌâ
5Â¥2010-07-08 17:05:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

beyondstar

ľ³æ (ÕýʽдÊÖ)

¡ï
lvjian8596(½ð±Ò+1):¸Ðл½»Á÷£¡ 2010-07-07 22:16:45
²¢ÐÐÃüÁî
mpirun -n 8 -machinefile -mf vasp>log&
ÆäÖÐmf
node01
node02
........
........

node08
node08
2Â¥2010-07-07 18:44:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

goldenfisher

½ð³æ (ÖøÃûдÊÖ)

¡ï ¡ï
lvjian8596(½ð±Ò+1):¸Ðл½»Á÷£¡ 2010-07-07 22:53:44
zzy870720z(½ð±Ò+1):ллָµã 2010-07-08 10:05:19
ÔÚ-machinefileºóÃæ»¹Òª¼ÓÉÏÄãÃüÃûµÄ¸÷¸ö½ÚµãµÄÎļþ¡£¼Çס£¬-machinefileÊÇÒ»¸öÃüÁ¶øºóÃæ¸úÉϵIJÅÊÇÆä¶ÔÓ¦µÄ½Úµã¡£
±ÈÈçÃüÃûÎļþΪmf,ÆäÖÐÄÚÈÝΪÉÏÃæËù˵µÄÄÚÈÝ£¬ÔòÔËÐÐ
mpirun -n 8 -machinefile mf vasp¼´¿É
3Â¥2010-07-07 22:41:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Prettyswan

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by goldenfisher at 2010-07-07 22:41:35:
ÔÚ-machinefileºóÃæ»¹Òª¼ÓÉÏÄãÃüÃûµÄ¸÷¸ö½ÚµãµÄÎļþ¡£¼Çס£¬-machinefileÊÇÒ»¸öÃüÁ¶øºóÃæ¸úÉϵIJÅÊÇÆä¶ÔÓ¦µÄ½Úµã¡£
±ÈÈçÃüÃûÎļþΪmf,ÆäÖÐÄÚÈÝΪÉÏÃæËù˵µÄÄÚÈÝ£¬ÔòÔËÐÐ
mpirun -n 8 -machinefile mf vasp¼´¿É

¹Ù·½Ö¸ÄÏÖÐдµÀ£º
ÒýÓûØÌû:
SYNOPSIS
       Single Process Multiple Data (SPMD) Model:

       mpirun [ options ] [ ]

       Multiple Instruction Multiple Data (MIMD) Model:

       mpirun [ global_options ]
              [ local_options1 ] [ ] :
              [ local_options2 ] [ ] :
              ... :
              [ local_optionsN ] [ ]

       Note  that in both models, invoking mpirun via an absolute path name is
       equivalent to specifying the --prefix option with a value equiva-
       lent  to  the  directory where mpirun resides, minus its last subdirec-
       tory.  For example:

           % /usr/local/bin/mpirun ...

       is equivalent to

           % mpirun --prefix /usr/local

QUICK SUMMARY
       If you are simply looking for how to run an MPI application, you proba-
       bly want to use a command line of the following form:

           % mpirun [ -np X ] [ --hostfile ]  

       This  will  run X copies of in your current run-time environ-
       ment (if running under a supported resource manager, Open MPI's  mpirun
       will  usually  automatically  use  the  corresponding  resource manager
       process starter, as opposed to, for example, rsh or ssh, which  require
       the  use  of a hostfile, or will default to running all X copies on the
       localhost), scheduling (by default) in a  round-robin  fashion  by  CPU
       slot.  See the rest of this page for more details.

ÎÒ·ÂÕÕ×ÅдÁË
CODE:
[zhuqx_hp@node2 Se]$ nohup /home/software/openmpi-1.2.2-intel9/bin/mpirun  -np 8 -hostfile mfile /home/bin/vasp.openmpi >out &

½á¹û»¹ÊDZ¨´í£º
ÒýÓûØÌû:
--------------------------------------------------------------------------
Failed to find the following executable:

Host:       node2
Executable: mfile

Cannot continue.
--------------------------------------------------------------------------

[ Last edited by Prettyswan on 2010-7-8 at 11:16 ]
4Â¥2010-07-08 10:16:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 288»·¾³×¨Ë¶,Çóµ÷²ÄÁÏ·½Ïò +35 lllllos 2026-04-04 39/1950 2026-04-07 23:24 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] »·¾³×¨Ë¶µ÷¼Á +12 »á˵»°µÄÖâ×Ó 2026-04-06 12/600 2026-04-07 17:23 by ¿É¿Ú¿ÉÀÖ²»¼Ó±ùØ
[¿¼ÑÐ] 081700»¯Ñ§¹¤³ÌÓë¼¼Êõ Ò»Ö¾Ô¸Öк£Ñó 323 Çóµ÷¼ÁѧУ +19 ÅûÐÇºÓ 2026-04-03 19/950 2026-04-07 15:14 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 085404 293Çóµ÷¼Á +8 ÓÂÔ¶¿â°®314 2026-04-06 9/450 2026-04-07 13:05 by flydream1314
[¿¼ÑÐ] Çóµ÷¼Á +4 µçÆøÐ¡Éñͯ 2026-04-04 6/300 2026-04-07 00:14 by guanxin1001
[¿¼ÑÐ] 287·ÖÇóµ÷¼Á ÓÐרÀû¹ú½±Ò»Ö¾Ô¸¹þ¹¤´ó085406 +6 °×Ò׳½ 2026-04-06 7/350 2026-04-06 22:46 by 875465
[¿¼ÑÐ] »ªÄÏÀí¹¤0703»¯Ñ§£¬×Ü·Ö336Çóµ÷¼Á +10 ÊÖ»úÓû§ 2026-04-03 11/550 2026-04-06 22:20 by michael2011
[¿¼ÑÐ] ÇóÖú071001µ÷¼Á£¡£¡£¡ +4 »ÆÊØËÉ 2026-04-05 5/250 2026-04-06 10:55 by 1028907439
[¿¼ÑÐ] 281Çóµ÷¼Á +8 Ò¬×ÓÄ¢¹½ 2026-04-06 8/400 2026-04-06 10:38 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸211ÉúÎïѧ280·Ö Çóµ÷¼Á +5 Àîrien 2026-04-05 5/250 2026-04-06 10:30 by zhyzzh
[¿¼ÑÐ] ²ÄÁÏר˶283Çóµ÷¼Á +17 ÊÔÊÔ¿´ß 2026-04-04 18/900 2026-04-06 09:24 by 286640313
[¿¼ÑÐ] 272Çóµ÷¼Á +4 µçÆøÀî 2026-04-05 4/200 2026-04-05 10:41 by lbsjt
[¿¼ÑÐ] µ÷¼Á +8 ÐܶþÏëÉϰ¶ 2026-04-04 8/400 2026-04-05 05:27 by houyaoxu
[¿¼ÑÐ] ÇóÉúÎïѧµ÷¼Á +14 15172915737 2026-04-01 14/700 2026-04-04 20:13 by babysonlkd
[¿¼ÑÐ] ¡£ +5 ÎíÓ뺣 2026-04-02 6/300 2026-04-04 19:53 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 335Çóµ÷¼Á +7 ÉòÇåÁ§ 2026-04-03 7/350 2026-04-03 18:55 by lijunpoly
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +3 masss11222 2026-04-02 3/150 2026-04-02 18:11 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] 0710ÉúÎïѧ£¬325Çóµ÷¼Á +3 mkkkkkl 2026-04-01 3/150 2026-04-02 09:48 by Jaylen.
[¿¼ÑÐ] 310·ÖÇóµ÷¼Á +4 ³É¹¦Éϰ¶wang 2026-04-01 4/200 2026-04-01 20:35 by liu823948201
[¿¼ÑÐ] 286Çóµ÷¼Á +5 Sa67890. 2026-04-01 7/350 2026-04-01 19:50 by 6781022
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û