²é¿´: 614  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

yxz476440843

Ìú³æ (СÓÐÃûÆø)

[ÇóÖú] ¾²Ì¬¼ÆËã

¸÷λ´óÏÀ£¬ÎҰѽṹÓÅ»¯ÍêÁË£¬ÏÖÔÚ×ö¾²Ì¬¼ÆËãÒÔ±ãµÃµ½µçºÉÃܶÈÓÃÀ´¼ÆËãÄÜ´ø£¬INCAR,KPOINTS,POSCAR,POTCARËĸöÎļþ¶¼×¼±¸ºÃÁË£¬ºîÀÏʦµÄÊéÉÏ˵¾Í¿ÉÒÔÖ±½Ó½øÐмÆË㣬µ«ÎÒÄÉÃÆµÄÊÇÕâÀïÒª²»ÒªÐ´½Å±¾£¿Èç¹ûҪдµÄ»°Ó¦¸ÃÔõÑùд£¿Ö®Ç°µÄ¼ÆËã²»ÊǶ¼ÒªÐ´½Å±¾Âð£¬ÕâÀïÔõôû˵°¡£¡Ð»Ð»ÁË£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

yxz476440843

Ìú³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by wcbkele at 2012-04-25 12:34:35:
°ÑrunvaspµÄ¿ÉÖ´ÐÐÎļþcopy½øÀ´ Ö´Ðм´¿É ±à½Å±¾Âé·³

ллÄãµÄ»Ø¸´£¬ÄúµÄÒâ˼ÊDz»ÊÇÖ±½Ó°ÑÕâ¸öÎļþ£¨¼ûÏÂÃæ£©copy½øÀ´ÔÙrun¾ÍÐС£
#!/bin/sh
#PBS -N yan
#PBS -e log.err
#PBS -o log.out
#PBS -l nodes=1:ppn=8
cd $PBS_O_WORKDIR

echo "This jobs is"$PBS_JOBID@$PBS_QUEUE
NP=`cat $PBS_NODEFILE | wc -l`


mpirun -np $NP -machinefile $PBS_NODEFILE /public/software/vasp5.2/vasp.5.2/vasp
3Â¥2012-04-25 15:52:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

wcbkele

Òø³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
zzy870720z: ½ð±Ò+2, ллָ½Ì 2012-04-25 13:39:32
°ÑrunvaspµÄ¿ÉÖ´ÐÐÎļþcopy½øÀ´ Ö´Ðм´¿É ±à½Å±¾Âé·³
ÖÕÓÚ¶®µÃʱ¼äÕä¹ó
2Â¥2012-04-25 12:34:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

WDD880227

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by yxz476440843 at 2012-04-25 15:52:58
ллÄãµÄ»Ø¸´£¬ÄúµÄÒâ˼ÊDz»ÊÇÖ±½Ó°ÑÕâ¸öÎļþ£¨¼ûÏÂÃæ£©copy½øÀ´ÔÙrun¾ÍÐС£
#!/bin/sh
#PBS -N yan
#PBS -e log.err
#PBS -o log.out
#PBS -l nodes=1:ppn=8
cd $PBS_O_WORKDIR

echo "This jobs i ...

ÊÇÕâÑùµÄ~~
smiling&fighting...
4Â¥2012-06-27 10:11:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yxz476440843

Ìú³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by WDD880227 at 2012-06-27 10:11:22
ÊÇÕâÑùµÄ~~...

Òѽâ¾ö£¬»¹ÊÇллÄú£¡
5Â¥2012-06-28 10:07:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢Çóµ÷¼Á +6 ¦Á____ 2026-03-22 7/350 2026-03-24 19:46 by sunjie8888
[¿¼ÑÐ] 307Çóµ÷¼Á +3 ÓàÒâÇä 2026-03-21 6/300 2026-03-24 15:03 by ÓàÒâÇä
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸Î人Àí¹¤´óѧ²ÄÁϹ¤³Ì£¨085601£© +5 WW.' 2026-03-23 7/350 2026-03-24 14:50 by sprinining
[¿¼²©] 26É격×Ô¼ö +3 whh869393 2026-03-24 3/150 2026-03-24 09:55 by 21018060
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +4 ÄÌÓͲÝÝ®. 2026-03-22 5/250 2026-03-23 19:37 by pswait
[¿¼ÑÐ] 303Çóµ÷¼Á +4 ԪϦԪ 2026-03-20 4/200 2026-03-23 19:00 by macy2011
[¿¼ÑÐ] 291 Çóµ÷¼Á +4 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 5/250 2026-03-23 16:46 by »¯¹¤2026½ì±ÏÒµÉ
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢Çóµ÷¼Á 324 +3 Promise-jyl 2026-03-23 3/150 2026-03-23 13:43 by wangkm
[¿¼ÑÐ] 311Çóµ÷¼Á +6 ¶¬Ê®Èý 2026-03-18 6/300 2026-03-22 20:18 by edmund7
[¿¼ÑÐ] ѰÕÒµ÷¼Á +4 ¾óǿâ? 2026-03-21 4/200 2026-03-22 16:14 by ľÍÐζ¶
[¿¼ÑÐ] 324Çóµ÷¼Á +6 luckyѽѽѽѼ 2026-03-20 6/300 2026-03-22 16:01 by ColorlessPI
[¿¼ÑÐ] 303Çóµ÷¼Á +5 °²ÒäÁé 2026-03-22 6/300 2026-03-22 12:46 by ËØÑÕÇã³Ç1988
[¿¼ÑÐ] 354Çóµ÷¼Á +7 Tyoumou 2026-03-18 10/500 2026-03-22 11:11 by ÈËÀ´Ê¢
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ºôºô£¿~+123456 2026-03-21 3/150 2026-03-21 20:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 297Çóµ÷¼Á +3 ϲ»¶»¹ÊDz»¸ÊÐÄ 2026-03-20 3/150 2026-03-21 18:33 by ѧԱ8dgXkO
[¿¼ÑÐ] 299Çóµ÷¼Á +5 shxchem 2026-03-20 7/350 2026-03-21 17:09 by ColorlessPI
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
[¿¼ÑÐ] 294Çóµ÷¼Á²ÄÁÏÓ뻯¹¤×¨Ë¶ +15 ݤÎÉ­ÁÖ 2026-03-18 15/750 2026-03-20 23:28 by JourneyLucky
[¿¼ÑÐ] 261ÇóBÇøµ÷¼Á£¬¿ÆÑо­Àú·á¸» +3 Å£Ä̺Üæ 2026-03-20 4/200 2026-03-20 19:34 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û