±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1392  |  »Ø¸´: 3

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

[ÇóÖú] ¡¾ÒѾ­½â¾ö£¬±àÒë³öµÄÎÊÌâ¡¿cpmd¼ÆËã³ö´í£ºPROGRAM STOPS IN SUBROUTINE RECPNEW

DAY4ÖеÄÀý×ÓHNO3£¬
±àдÌá½»½Å±¾cpmd.sh£¬¶ÁÈëinp1£¬Êä³öinp1.out

Ìá½»ÈÎÎñbsub -J inp1.1 ./cpmd.sh

ûÓÐÕý³£Êä³öÆäËûÎļþ£¬Ö»ÓÐinp1.1.out,ÄÚÈÝÈçÏ£º
CODE:
PROGRAM CPMD STARTED AT: Fri Aug 30 11:17:43 2013
SETCNST| USING: CODATA 2006 UNITS


               ******  ******    ****  ****  ******
              *******  *******   **********  *******
             ***       **   ***  ** **** **  **   ***
             **        **   ***  **  **  **  **    **
             **        *******   **      **  **    **
             ***       ******    **      **  **   ***
              *******  **        **      **  *******
               ******  **        **      **  ******

                          VERSION 3.13.2

                            COPYRIGHT
                      IBM RESEARCH DIVISION
                MPI FESTKOERPERFORSCHUNG STUTTGART

                       The CPMD consortium
                  Home Page: [url]http://www.cpmd.org[/url]
               Mailing List: [email]cpmd-list@cpmd.org[/email]
                     E-mail: [email]cpmd@cpmd.org[/email]


                  ***  Jun  5 2013 -- 09:59:13  ***
                                                                                             1,2           Top
       [LYP: C.L. LEE ET AL. PHYS. REV. B 37, 785 (1988)]

***     DETSP| SIZE OF THE PROGRAM IS   12768/ 323052 kBYTES ***
  RECPNEW| ECPFILE NOT FOUND
H_MT_BLYP




[color=Red]PROGRAM STOPS IN SUBROUTINE RECPNEW|   [PROC=   0][/color]
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 999.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 22477 on
node gg1525 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
start time  Fri Aug 30 11:17:42 CST 2013
end   time  Fri Aug 30 11:17:44 CST 2013

[ Last edited by cenwanglai on 2013-9-1 at 15:57 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ChemiAndy

ľ³æ (ÕýʽдÊÖ)


RECPNEW| ECPFILE NOT FOUND
H_MT_BLYP

Õâ¸öØÍÊÆÎļþÔÚÃüÁîÐÐÖ¸¶¨µÄ·¾¶ÖÐûÓÐÕÒµ½
2Â¥2013-08-31 02:14:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cenwanglai

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

ÀϺÍɽâ«ËöÅɾŶÎ

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
2Â¥: Originally posted by ChemiAndy at 2013-08-31 02:14:05
RECPNEW| ECPFILE NOT FOUND
H_MT_BLYP

Õâ¸öØÍÊÆÎļþÔÚÃüÁîÐÐÖ¸¶¨µÄ·¾¶ÖÐûÓÐÕÒµ½

ÊÇÕâÑùµÄ~
3Â¥2013-08-31 11:11:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÏòÈÕ¿û2012

Í­³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÎÒÏÖÔÚÒ²Óöµ½ÁËͬÑùµÄÎÊÌ⣬ÇëÎÊÂ¥Ö÷ÒѾ­½â¾öÁËÂ𣿼±Ç󻨏´£¡£¡£¡
ÎðÍüÐݲ
4Â¥2013-09-24 10:26:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ cenwanglai µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¿¼Ñе÷¼Á +7 15615482637 2026-04-04 7/350 2026-04-06 22:56 by chenzhimin
[¿¼ÑÐ] »¯¹¤Çóµ÷¼Á£¡ +17 RichLi_ 2026-04-06 17/850 2026-04-06 22:26 by qlm5820
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +10 cs0106 2026-04-05 12/600 2026-04-06 19:41 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Çóµ÷¼Á +5 wos666 2026-04-03 5/250 2026-04-06 10:13 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»´ó²ÄÁÏѧ˶£¨Ó¢Ò»Êý¶þ£©347£¬Çóµ÷¼Áµ½¸ß·Ö×Ó/²ÄÁÏÏà¹Ø×¨Òµ +8 zju51 2026-03-31 10/500 2026-04-06 09:03 by ×íÎÌwl
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷±±Å©ÁÖÐóÄÁר˶336·ÖÇóµ÷¼Á +3 5ourr 2026-04-03 3/150 2026-04-05 10:40 by JOKER0401
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤306·ÖÕÒµ÷¼Á +12 ²×º£ÇáÖÛe 2026-04-03 13/650 2026-04-04 23:45 by lqwchd
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ÇóÉúÎïѧרҵµ÷¼Á-332·Ö +5 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 5/250 2026-04-04 10:05 by rzh123456
[¿¼ÑÐ] 278Çóµ÷¼Á +6 Yy7400 2026-04-03 6/300 2026-04-04 09:53 by zhangdingwa
[¿¼ÑÐ] 305Çóµ÷¼Á +3 77Qi 2026-04-03 3/150 2026-04-03 23:01 by qzxyhcsy
[¿¼ÑÐ] 288Çóµ÷¼Á Ò»Ö¾Ô¸¹þ¹¤´ó ²ÄÁÏÓ뻯¹¤ +39 ÂåÉñ¸ç¸ç 2026-03-31 41/2050 2026-04-03 21:51 by qlm5820
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-02 11/550 2026-04-02 20:16 by yulian1987
[¿¼ÑÐ] 285Çóµ÷¼Á +14 AZMK 2026-04-02 14/700 2026-04-02 15:54 by ÉϾÅÌìÀ¿Ô£¨ºÃÔ
[¿¼ÑÐ] 282Çóµ÷¼Á +13 ºôÎü¶¼ÊǼõ·Ê 2026-04-01 13/650 2026-04-02 14:10 by baoball
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +3 cs0106 2026-04-02 5/250 2026-04-02 11:37 by olim
[¿¼ÑÐ] 0805Çóµ÷¼Á +8 ÊÇË®·Ö 2026-03-31 8/400 2026-04-02 10:46 by guanxin1001
[¿¼ÑÐ] Ò»Ö¾Ô¸°²»Õ´óѧ¼ÆËã»ú¿ÆÑ§Óë¼¼Êõѧ˶£¬331·ÖÇóµ÷¼Á +5 ½¯²ýÅôqtj 2026-04-01 5/250 2026-04-02 08:10 by fxue1114
[¿¼ÑÐ] 085602»¯Ñ§¹¤³Ì268·Ö¶×µ÷¼Á +8 ÔÂÕÕ»¨ÁÖ¡£ 2026-04-01 8/400 2026-04-01 22:08 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û