| ²é¿´: 1853 | »Ø¸´: 11 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
xiongxiong5712гæ (СÓÐÃûÆø)
|
[ÇóÖú]
Ìá½»siestaÈÎÎñ¼ÆËãʧ°Ü
|
||
|
Çë½ÌsiestaµÄoutputÎļþÌáʾÕâ¸öÊÇʲôÒâ˼£º p0_17810: p4_error: Child process exited while making connection to remote process on c0108: 0 p0_17810: (6.070312) net_send: could not write to fd=4, errno = 32 |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
siestaÎÊÌâ |
» ²ÂÄãϲ»¶
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ4È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ6È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ4È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ5È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ5È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ8È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ8È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ10È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ6È˻ظ´
ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼±
ÒѾÓÐ6È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
SIESTA¼ÆËãÄܼ¶²»×¼Ôõô½â¾ö
ÒѾÓÐ10È˻ظ´
¹ØÓÚTroqueÌá½»ÈÎÎñÐèÒªÓÃqrun²ÅÄÜÔËÐеÄÌÖÂÛ
ÒѾÓÐ16È˻ظ´
ÔõôÑù½ûÖ¹ÈÆ¿ª¶ÓÁÐÌá½»ÈÎÎñ£¿
ÒѾÓÐ21È˻ظ´
siesta ¼ÆËãµç×ÓÕ¼¾ÝÊýµÄÎÊÌâ
ÒѾÓÐ3È˻ظ´
siesta¼ÆËãdipole moment£¨µçż¼«¾Ø£©
ÒѾÓÐ7È˻ظ´
¹ØÓÚSIESTAÖÐÈçºÎ¼ÆË㹦º¯ÊýµÄÒ»ÖÖ×ö·¨Ì½ÌÖ
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿siesta½øÐÐordern¼ÆËã³ö´íÇóÖú
ÒѾÓÐ4È˻ظ´
¡¾ÇóÖú¡¿ÈçºÎÔÚsiestaÖÐÉèÖÃghost stateÔ×ӵļÆËã
ÒѾÓÐ16È˻ظ´
¡¾ÇóÖú¡¿siesta¹ØÓÚ½ðÊô¼ÆËãµÄ²ÎÊýÉèÖÃ
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿H2 Binding Energy@SIESTA
ÒѾÓÐ13È˻ظ´
¡¾ÇóÖú¡¿ÇëÎÊÔÚsiestaÖмÆËãµÃµ½µÄÄÜ´øÔõô»³öÀ´
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿siesta¼ÆËãÉù×Ó
ÒѾÓÐ16È˻ظ´
¡¾ÇóÖú¡¿siesta ¼ÆËãDOSÓ¦¸Ã×¢ÒâʲôÎÊÌâ
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿siestaÖÐtransiestaÄ£¿éµÄÊÕÁ²±ê×¼ÊÇɶ~~
ÒѾÓÐ20È˻ظ´
¡¾ÇóÖú¡¿·þÎñÆ÷Linux_MS4.0,×î½üÌá½»ÈÎÎñ×ÜÊÇʧ°Ü£¬ÔÒò£¿
ÒѾÓÐ6È˻ظ´
xiongxiong5712
гæ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 543
- É¢½ð: 12
- ºì»¨: 2
- Ìû×Ó: 257
- ÔÚÏß: 267.7Сʱ
- ³æºÅ: 706467
- ×¢²á: 2009-02-23
- רҵ: °ëµ¼Ìå²ÄÁÏ
3Â¥2012-06-07 10:09:36
zhangguangping
ľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 23
- Ó¦Öú: 71 (³õÖÐÉú)
- ¹ó±ö: 0.031
- ½ð±Ò: 1973.1
- É¢½ð: 9059
- ºì»¨: 79
- Ìû×Ó: 2681
- ÔÚÏß: 2128.8Сʱ
- ³æºÅ: 529624
- ×¢²á: 2008-03-20
- ÐÔ±ð: GG
- רҵ: Ô×ӺͷÖ×ÓÎïÀí

2Â¥2012-06-06 23:24:02
zhangguangping
ľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 23
- Ó¦Öú: 71 (³õÖÐÉú)
- ¹ó±ö: 0.031
- ½ð±Ò: 1973.1
- É¢½ð: 9059
- ºì»¨: 79
- Ìû×Ó: 2681
- ÔÚÏß: 2128.8Сʱ
- ³æºÅ: 529624
- ×¢²á: 2008-03-20
- ÐÔ±ð: GG
- רҵ: Ô×ӺͷÖ×ÓÎïÀí

4Â¥2012-06-07 10:18:13
xiongxiong5712
гæ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 543
- É¢½ð: 12
- ºì»¨: 2
- Ìû×Ó: 257
- ÔÚÏß: 267.7Сʱ
- ³æºÅ: 706467
- ×¢²á: 2009-02-23
- רҵ: °ëµ¼Ìå²ÄÁÏ
|
[lxiong@console LV30-k1]$ vi pbssiesta #!/bin/bash #PBS -l nodes=1:ppn=4 #PBS -N Si3N4 #PBS -l walltime=480:00:00 #PBS -l cput=480:00:00 #PBS -q students cd $PBS_O_WORKDIR echo `cat $PBS_NODEFILE` NPROCS=`wc -l < $PBS_NODEFILE` echo This job has allocated $NPROCS nodes mpirun -machinefile $PBS_NODEFILE -np $NPROCS /export/software/siesta-3.0-rc2/O bj/siesta < in.fdf|tee output ~ ~ ~ ~ ~ ~ ~ ~ ~ "pbssiesta" [readonly] 11L, 341C 11,1 All #!/bin/bash #PBS -l nodes=1:ppn=4 #PBS -N Si3N4 #PBS -l walltime=480:00:00 #PBS -l cput=480:00:00 #PBS -q students cd $PBS_O_WORKDIR echo `cat $PBS_NODEFILE` NPROCS=`wc -l < $PBS_NODEFILE` echo This job has allocated $NPROCS nodes mpirun -machinefile $PBS_NODEFILE -np $NPROCS /export/software/siesta-3.0-rc2/Obj/siesta < in.fdf|tee output ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ [lxiong@console LV30-k1]$ qsub pbssiesta 4896.console Á¢¼´²é¿´£º [lxiong@console LV30-k1]$ qstat Job id Name User Time Use S Queue ------------------------- ---------------- --------------- -------- - ----- 4896.console Si3N4 lxiong 0 R students Ôٴβ鿴ÒѾֹͣ¼ÆËãÁË£º [lxiong@console LV30-k1]$ qstat Job id Name User Time Use S Queue ------------------------- ---------------- --------------- -------- - ----- 4896.console Si3N4 lxiong 00:00:00 C students |
5Â¥2012-06-08 09:14:08













»Ø¸´´ËÂ¥