Znn3bq.jpeg
²é¿´: 987  |  »Ø¸´: 5
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

yuwenxianglong

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿LinuxÏÂÈçºÎÆô¶¯Material Studio£¿

ÔÚUbuntu 9.04ϰ²×°ÁËMaterial Studio 4.4£¬¿½±´ºÃlicÎļþ£¬½øÈ밲װĿ¼£¬Ã»·¢ÏÖÓÐÀàËÆMatStudioÀàËÆµÄ¿ÉÖ´ÐÐÎļþ£¬°´ÂÛ̳ÉÏijλ´ïÈ˵ķ½·¨£¬½øÈë/home/Accelrys/MaterialsStudio44/etc/CASTEP/bin/Ŀ¼£¬Ö´ÐÐbash RunCASTEP.sh -np 2£¬(×¢£ºË«ºË´¦ÀíÆ÷£©£¬³öÏÖÒÔÏ´íÎó£º
eval: 1: cannot: not found
Instructions for using RunCastep scripts
========================================
NAME
   RunCastep.sh or RunCastep.bat


DESCRIPTION
   RunCastep script runs CASTEP as a standalone program
   in serial or parallel mode. RunCastep.sh is provided for
   LINUX servers, while RunCastep.bat is provided
   for Windows servers.

   Typical usage:
       RunCastep.sh [-h] [-np ] [ basename2 basename3 basename4 ... ] (UNIX)
   or
       RunCastep [-h] [-np ] [ basename2 basename3 basename4 ... ] (Windows)



RUN OPTIONS

     -h        - displays the help text

     -np       - run in parallel on "number of processors"
                 Serial version of CASTEP is executed when the
                 -np option is missing. If the -np value is 1, then
                 parallel CASTEP is executed on one CPU.


ARGUMENTS


   basename1    - name of the CASTEP job. Input is read from "basename1".param etc.,
                 and output is written to "basename1".castep
       
   basename2, basename3, .. Additional calculations can be started upon successful completion of the first one,
                        as continuation runs. input check file for each subsequent calculation
                        is copied from the output from the previous run.
Çó¸÷λ¸ßÈËÖ¸½Ì£¬²»Ê¤¸Ð¼¤£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

ÊÖ²¦ÏËÔÆÅªÇàÌ죬 ·÷ÐäÓîÄÚÍòÀﺮ£¬ »¨²»Õ´Ò¾Ʋ»×í£¬ Ò¹ÓÐɽºÓ°éÎÒÃß¡£
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

juloong

ľ³æ (Ö°Òµ×÷¼Ò)

XÉäÏßÑÜ/É¢Éä²âÊÔ

ÄãÊÇÈçºÎ°²×°ºÃµÄ£¿
ÎÒµÄÔõô×ÜÊǰ²×°²»ºÃÄØ£¿
2Â¥2009-05-09 12:11:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yuwenxianglong

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
fegg7502(½ð±Ò+2,VIP+0):¹ÄÀø½»Á÷£¡ 5-9 17:07
ÒýÓûØÌû:
Originally posted by juloong at 2009-5-9 12:11:
ÄãÊÇÈçºÎ°²×°ºÃµÄ£¿
ÎÒµÄÔõô×ÜÊǰ²×°²»ºÃÄØ£¿

ÎÒÒ²²»ÖªµÀÊDz»Êǰ²×°ºÃÁË£¬²»¹ýµ¹ÊÇû±¨´í£¬Ò²Ë³Àû°²ÉÏÁË£¡
¾ÍÊÇÏȽøÈë½âѹĿ¼£¬Ö´ÐÐchmod +x -R /½âѹ·¾¶/
È»ºó½øÈë/UNIX/Ŀ¼./Install£¬°´Ìáʾһ²½Ò»²½×°ÉÏÁË
µ«ÊDz»ÖªµÀÔõôÆô¶¯£¬Ò²Ã»ÓÐÉú³ÉMaterial StudioµÄ¿ÉÖ´ÐÐÎļþ¡£
ÊÖ²¦ÏËÔÆÅªÇàÌ죬 ·÷ÐäÓîÄÚÍòÀﺮ£¬ »¨²»Õ´Ò¾Ʋ»×í£¬ Ò¹ÓÐɽºÓ°éÎÒÃß¡£
3Â¥2009-05-09 12:45:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wangtingyun

Òø³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
¼ÌÐø¹Ø×¢¡£Ã»ÓÐÈ˻شð£¿
4Â¥2009-11-12 12:13:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tjyl

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
evalÊÇbash »òÕ߯äËûshellÄÚ½¨µÄÒ»¸öÃüÁî¡£
Ö±½Ó./RunCASTEP.sh -np 2 ÊÔÊÔÄØ¡£
5Â¥2009-11-12 15:05:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjmaxpayne

ľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
¹Ø×¢Ö®£¬ Õâ¸öUbuntuϰ²×°4.4°æÎÒҲûÓгɹ¦¹ý£¬Â¥Ö÷°²×°µÄ¾­Ñé¿É·ñÔÙÏêϸЩ£¿ лл£¡
6Â¥2009-11-12 19:06:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ yuwenxianglong µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 297Çóµ÷¼Á +18 ljy20040718£¡ 2026-04-03 20/1000 2026-04-09 18:48 by laoshidan
[¿¼ÑÐ] 284Çóµ÷¼Á +6 archer.. 2026-04-09 7/350 2026-04-09 18:27 by vgtyfty
[¿¼ÑÐ] 348Çóµ÷¼Á +3 candyyyi 2026-04-09 3/150 2026-04-09 17:20 by ¶ÎΰÑÞ
[¿¼ÑÐ] 278Çóµ÷¼Á +27 ·¶æÃÄÈ 2026-04-07 30/1500 2026-04-09 15:59 by ̽123
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +14 Ò»ÑùYWY 2026-04-06 14/700 2026-04-08 23:00 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +15 a1708 2026-04-06 15/750 2026-04-08 16:23 by luoyongfeng
[¿¼ÑÐ] 315Çóµ÷¼Á +17 ÐÀϲ777 2026-04-04 18/900 2026-04-08 13:54 by hangsimei
[¿¼ÑÐ] 304Çóµ÷¼Á +10 ËØÄê¼ÀÓï 2026-04-06 17/850 2026-04-08 09:05 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 306Çóµ÷¼Á +3 15287505595 2026-04-03 3/150 2026-04-07 18:08 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ó¢¶þÊý¶þÇóµ÷¼Á +4 À¶¼ãƬ 2026-04-06 4/200 2026-04-07 12:30 by dongzh2009
[¿¼ÑÐ] µÚÒ»Ö¾Ô¸¶«ÄÏ´óѧÎïÀí313£¬ÓпÆÑоºÈü»ñ½±¾­Àú£¬Ï£ÍûÎïÀí¸´ÊÔµ÷¼Á +3 ÂíÄÚ³È 2026-04-05 3/150 2026-04-06 10:32 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 302·Ö 085601Çóµ÷¼ÁÍÆ¼ö +11 zyxÉϰ¶£¡ 2026-04-05 11/550 2026-04-05 22:13 by dongzh2009
[¿¼ÑÐ] 306·Ö²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +7 Àè°ÉÀ²À²ÄãºÜÓÐà 2026-04-03 7/350 2026-04-05 17:18 by Hdyxbekcb
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 22:08 by à£à£à£0119
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦985£¬326·ÖÇóµ÷¼Á +3 Áõīī 2026-04-03 3/150 2026-04-04 11:16 by ±¯É˵ÄÓóÍ·
[¿¼ÑÐ] ѧ˶288µ÷¼Á!!! +3 СÍõxw123 2026-04-03 3/150 2026-04-03 21:20 by à£à£à£0119
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ò»Ö¾Ô¸ºþÄÏ´óѧÇóµ÷¼Á +3 À¶¼ãƬ 2026-04-03 4/200 2026-04-03 17:58 by Jimmyandyou
[¿¼ÑÐ] 0705Àíѧ294Çóµ÷¼Á +3 ³É¹û³É¹ûcg5 2026-04-03 3/150 2026-04-03 14:04 by simons1972
[¿¼ÑÐ] Ò»Ö¾Ô¸°²»Õ´óѧ0817»¯Ñ§¹¤³ÌÓë¼¼Êõ£¬Çóµ÷¼Á +14 ÎÒ²»ÊÇÖ»Òò 2026-04-02 15/750 2026-04-03 09:49 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉÂÎ÷ʦ·¶´óѧÉúÎïѧ317·Ö +5 1563ÈÕ¡£ 2026-04-02 5/250 2026-04-03 06:58 by ilovexiaobin
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û