Znn3bq.jpeg
²é¿´: 479  |  »Ø¸´: 3

yh3166

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] ÈÎÎñµÝ½»³¬Ëã´íÎó

´ó¼ÒºÃ
WIEN2KµÝ½»ÈÎÎñºó
µÚһȦֱ½Ó³ö´í   ÕÒÁ˺ܾà  ²»ÖªÔ­Òò¡£¡£¡£   µ«ÎÒµ¥»÷²âÊÔlapw0ûÎÊÌâ
   error: command   /opt/issp2/wien2k/lapw0para -up -c lapw0.def   failed
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

likai0106

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
1Â¥: Originally posted by yh3166 at 2011-11-27 19:41:55:
´ó¼ÒºÃ
WIEN2KµÝ½»ÈÎÎñºó
µÚһȦֱ½Ó³ö´í   ÕÒÁ˺ܾà  ²»ÖªÔ­Òò¡£¡£¡£   µ«ÎÒµ¥»÷²âÊÔlapw0ûÎÊÌâ
   error: command   /opt/issp2/wien2k/lapw0para -up -c lapw0.def   failed

ÄãµÄWIEN2KÊDZàÒë³É²¢ÐеÄô£¿»¹ÓÐÆäÔËÐжà»úµÄʱºòÒªÓÐ.machinesÎļþºÍ-pµÄÑ¡Ïî¡£
2Â¥2011-11-28 07:59:56
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yh3166

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by likai0106 at 2011-11-28 07:59:56:
ÄãµÄWIEN2KÊDZàÒë³É²¢ÐеÄô£¿»¹ÓÐÆäÔËÐжà»úµÄʱºòÒªÓÐ.machinesÎļþºÍ-pµÄÑ¡Ïî¡£

¶Ô  Îҵݽ»ÈÎÎñÑ¡µÄÊDz¢ÐÐ
¶à»úÔËÐÐÓÐ-pÑ¡Ïî      ÏÂÃæÊÇPBSµÝ½»ÈÎÎñ½Å±¾   °´Äã˵µÄÓ¦¸ÃûÎÊÌâ°É    ÎÒÕâ¸öÊDzâÊÔµÄ
EXEC="runsp_lapw -ec 0.00001 -cc 0.0001 -i 1 -p"

cat $PBS_NODEFILE > nodelist.$$
sed -i s/$/-ib/ nodelist.$$

echo "###################" > .machines
echo "granularity:1" >> .machines
echo "lapw0:"`sed -n 1p nodelist.$$` >> .machines

for i in `cat nodelist.$$`
do
        echo "1:"$i":1"  >> .machines
done
echo "extrafine:1"  >> .machines
rm -f nodelist.$$

$EXEC
3Â¥2011-11-28 08:47:02
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

likai0106

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï
yh3166(½ð±Ò+2): ÎÊÌâ½â¾öÁË£¬ÁªÏµ¹ÜÀíÔ±Á赀 2011-11-28 13:42:42
franch(½ð±Ò+5): лл»ØÌû½»Á÷ 2011-11-28 21:35:04
ÒýÓûØÌû:
3Â¥: Originally posted by yh3166 at 2011-11-28 08:47:02:
¶Ô  Îҵݽ»ÈÎÎñÑ¡µÄÊDz¢ÐÐ
¶à»úÔËÐÐÓÐ-pÑ¡Ïî      ÏÂÃæÊÇPBSµÝ½»ÈÎÎñ½Å±¾   °´Äã˵µÄÓ¦¸ÃûÎÊÌâ°É    ÎÒÕâ¸öÊDzâÊÔµÄ
EXEC="runsp_lapw -ec 0.00001 -cc 0.0001 -i 1 -p"

cat $PBS_NODEFILE > ...

ÊÇÕâÑùÎÒ²»ÖªµÀÄãµÄ²¢ÐбàÒëÖÐlapw0paraÕâ¸ö×é¿éÓÐûÓÐÎÊÌ⣿Èç¹ûÊÇËûÓÐÎÊÌâ¾Í²»Êǽű¾µÈÎÊÌâÁË¡£ËùÒÔÄã¿´¿´µÄ±àÒëÕâ¸öµØ·½ÓÐûÓдíÎó£¬Èç¹û²»ÊÇÄã±àÒëµÄÁªÏµÒ»Ï¹ÜÀíÔ±¡£
4Â¥2011-11-28 09:37:11
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ yh3166 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¼±Ðèµ÷¼Á +7 ¾ø²»·ÅÆú22 2026-04-15 8/400 2026-04-17 23:54 by ¾ø²»·ÅÆú22
[¿¼ÑÐ] Çóµ÷¼Á +9 СÄô°®Ñ§Ï° 2026-04-16 11/550 2026-04-17 22:34 by chixmc
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬326ÇóÉúÎïѧµ÷¼Á +11 Áõīī 2026-04-13 11/550 2026-04-17 15:35 by wanganpin
[¿¼ÑÐ] 291Çóµ÷¼Á +9 ¹ØÒä±±. 2026-04-14 9/450 2026-04-16 22:49 by cfdbai
[¿¼ÑÐ] 300Çóµ÷¼Á +11 ³Èa777 2026-04-15 11/550 2026-04-16 22:43 by cfdbai
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +10 haoyunÉϰ¶ 2026-04-11 12/600 2026-04-16 22:21 by Öí»á·É
[¿¼ÑÐ] 22408 312Çóµ÷¼Á +23 ÃÅ·ÃþÃþ 2026-04-14 25/1250 2026-04-16 21:21 by Art1977
[¿¼ÑÐ] 291Çóµ÷¼Á +11 ¹ØÒä±±. 2026-04-14 11/550 2026-04-16 15:18 by jiahl2024
[¿¼ÑÐ] 322Çóµ÷¼Á +8 123°²¿µ 2026-04-12 15/750 2026-04-16 11:07 by Espannnnnol
[¿¼ÑÐ] Çóµ÷¼Á +11 СÄô°®Ñ§Ï° 2026-04-11 15/750 2026-04-15 21:57 by noqvsozv
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +9 Ö½ÉÈzhishan 2026-04-13 9/450 2026-04-15 18:28 by ANÁ÷800
[½Ìʦ֮¼Ò] ת³¤Æ¸ÁË +7 ¼òµ¥»¯xn 2026-04-13 7/350 2026-04-14 14:50 by xindong
[¿¼ÑÐ] Çóµ÷¼Á +12 ºÎÆøÕý 2026-04-13 13/650 2026-04-14 14:47 by zs92450
[¿¼ÑÐ] 245Çóµ÷¼Á +6 ±ùÌÇéÙ?ÆûË® 2026-04-13 10/500 2026-04-14 10:49 by jyl0317
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ 0855 »úе 286 Çóµ÷¼Á +11 ²»»á³ÔÈâ 2026-04-12 11/550 2026-04-13 21:59 by bljnqdcc
[¿¼ÑÐ] BÇø0809 £¬ÊýÒ»Ó¢Ò»£¬290 Çóµ÷¼Á +3 ãöΫ1111 2026-04-12 4/200 2026-04-13 20:35 by ѧԱJpLReM
[¿¼ÑÐ] 291Çóµ÷¼Á +8 ¹ØÒä±±. 2026-04-11 8/400 2026-04-12 09:32 by ÄæË®³Ë·ç
[¿¼ÑÐ] Çóµ÷¼Á +3 θ¾·ÂÎÀÛÁË 2026-04-11 5/250 2026-04-11 14:13 by luhong1990
[¿¼ÑÐ] Ò»Ö¾Ô¸985»úеѧ˶380Çóµ÷¼Á +5 ¹Ø¹ØöÂð¯10 2026-04-11 5/250 2026-04-11 10:10 by ÖªÄî¡£A
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û