| ²é¿´: 2501 | »Ø¸´: 1 | ||
dantor321Ìú³æ (СÓÐÃûÆø)
|
[ÇóÖú]
¸ßÐÔÄÜÆ½Ì¨pbsÌá½»ÎÊÌ⣬¼±Çó!!!
|
|
ÊäÈëqsub ÃüÁîºó ×ÜÊdzöÏÖ¡° script file 'xzd243.pbs' cannot be loaded - No such file or directory¡±£¬ÊÇÔõô»ØÊ£¿ÎÒÃ÷Ã÷ÒѾ½«PBSÉÏ´«ÁË¡£Çó¸ßÊÖ½â»ó¡£¡£¡£ xiangzhoudan@node65:~/AlC/AlC> ls AlC.cell AlC.param AlC.xsd xdz243.pbs AlC.kptaux AlC.trjaux SMCastep_Extension_AlC.xms xiangzhoudan@node65:~/AlC/AlC> qsub xzd243.pbs qsub: script file 'xzd243.pbs' cannot be loaded - No such file or directory Çó¸ßÊÖ½â´ð PBS½Å±¾ÈçÏ #PBS ©\N AlC #PBS ©\l nodes=10:ppn=16 #PBS ©\j oe #PBS ©\l walltime=1000:00:00 #PBS ©\m e #PBS ©\M 52xiangzhoudan@163.com ### to specify the project name here ,note that there should not have any space ### between the "=" and project name. project_name=AlC #prepare env for computing source /public/home/Mstudio/Accelrys/mstudio.sh cd $PBS_O_WORKDIR rm .machine rm APPFILE rm $project_name.castep ##to get the needed usp files uspfiles=`awk '/.usp/{print $2}' *.cell|awk '{gsub(/\r/," " ;print}'|awk '!a[$0]++'`for i in $uspfiles do cp ${MS_INSTALL_ROOT}/share/Resources/Quantum/Castep/Potentials/$i ./ done 1.JPG |
» ²ÂÄãϲ»¶
[Ìì½ò]ÖйúÃñº½´óѧ ÕÐÊÕ²ÄÁÏÀàÑо¿Éú
ÒѾÓÐ0È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ180È˻ظ´
Õãʦ´ó»¯Óë²ÄѧԺ2026ÄêÓдóÁ¿Ë¶Ê¿Ñо¿Éúµ÷¼ÁÃû¶î £¨ÏßÉÏ µ÷¼Á£©
ÒѾÓÐ9È˻ظ´
¼ªÁÖ¹¤³Ì¼¼Êõʦ·¶Ñ§Ôº ²ÄÁÏÓ뻯¹¤ £¨0856£© ÕÐÊÕµ÷¼Á
ÒѾÓÐ5È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
¼ªÁÖ¹¤³Ì¼¼Êõʦ·¶Ñ§Ôº ½»²æÑ§¿ÆÑо¿Ôº£¨08/07£© ÕÐÊÕµ÷¼Á
ÒѾÓÐ4È˻ظ´
¹ú¼Ò´óÈ˲ſÎÌâ×éÕÐÊÕ»¯Ñ§¡¢²ÄÁÏ»¯¹¤Àà2026Äêµ÷¼ÁÉú
ÒѾÓÐ0È˻ظ´
¹óÖÝ´óѧ2026Äê˶ʿÑо¿ÉúÕÐÉúµ÷¼Áȱ¶îÐÅÏ¢
ÒѾÓÐ3È˻ظ´
ºÓÄÏÀí¹¤´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕ˶ʿµ÷¼ÁÉú2Ãû
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÇóÒ»¸öWIEN2k·þÎñÆ÷¼ÆËãµÄPbsÌá½»ÃüÁîÎļþ
ÒѾÓÐ4È˻ظ´
²ÉÓÃPBS½Å±¾µÚÒ»´ÎÌá½»ÈÎÎñ£¬ËãÁË1²½¾Í±»É±ËÀ£¬ÓдíÎóÌáʾµ«²»ÖªµÀÔÒò£¿
ÒѾÓÐ19È˻ظ´
PBS½Å±¾Ìá½»ºóError
ÒѾÓÐ11È˻ظ´
¡¾ÇóÖú³É¹¦¡¿Çë½Ì£ºÔõôÓÃpbsÅŶÓϵͳÏò¼¯ÈºÌá½»×÷Òµ£¿
ÒѾÓÐ4È˻ظ´
yanrding
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 114 (¸ßÖÐÉú)
- ½ð±Ò: 192.9
- É¢½ð: 601
- ºì»¨: 10
- Ìû×Ó: 594
- ÔÚÏß: 207.5Сʱ
- ³æºÅ: 1000562
- ×¢²á: 2010-04-19
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2 2013-06-22 00:17:52
dantor321: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, лл£¬ÊÇÎÒÊèºöÁË¡£¡£¡£xiangzhoudan@node65:~/AlC/AlC> ls AlC.cell AlC.param AlC.xsd xdz243.pbs AlC.kptaux AlC.trjaux SMCastep_Extension_AlC.xms xiangzhoudan@node65:~/AlC/AlC> qsub xdz243.pbs qsub: file must be an ascii script 2013-06-22 15:55:12
dantor321: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, Òѽâ¾öÌá½»³É¹¦ÁË£¬¶àлÈÈÐĻظ´£¬µÚÒ»´ÎÌá½»»¹²»ÊìÁ·£¬ÊÖæ½ÅÂҵģ¬ºÇºÇ 2013-06-22 16:04:36
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2 2013-06-22 00:17:52
dantor321: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, лл£¬ÊÇÎÒÊèºöÁË¡£¡£¡£xiangzhoudan@node65:~/AlC/AlC> ls AlC.cell AlC.param AlC.xsd xdz243.pbs AlC.kptaux AlC.trjaux SMCastep_Extension_AlC.xms xiangzhoudan@node65:~/AlC/AlC> qsub xdz243.pbs qsub: file must be an ascii script 2013-06-22 15:55:12
dantor321: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú, Òѽâ¾öÌá½»³É¹¦ÁË£¬¶àлÈÈÐĻظ´£¬µÚÒ»´ÎÌá½»»¹²»ÊìÁ·£¬ÊÖæ½ÅÂҵģ¬ºÇºÇ 2013-06-22 16:04:36
|
xiangzhoudan@node65:~/AlC/AlC> ls AlC.cell AlC.param AlC.xsd xdz243.pbs qsub xzd243.pbs ÄãÄÜ¿´³öÁ½¸öpbsÎļþÃû²»Ò»ÑùÂ𣿠|

2Â¥2013-06-21 22:19:10













;print}'|awk '!a[$0]++'`
»Ø¸´´ËÂ¥