| ²é¿´: 3304 | »Ø¸´: 23 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
wuli8ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)
¡¡¡¡
|
[½»Á÷]
¡¾ÇóÖú¡¿¹ØÓÚvasp 5.2 µÄ°æÈ¨ÎÊÌâ ÒÑÓÐ10È˲ÎÓë
|
||
|
http://muchong.com/bbs/viewthread.php?tid=1369298&fpage=0&view=&highlight=&page=3 22Â¥y1dingר¼ÒµÄÒâ¼û£º ![]() ÇëÎÊ´ó¼ÒÓÐûÓÐÆäËûµÄÏûÏ¢¡£ żÐèҪȷÈÏÒ»ÏÂÏ¡£ vasp5.2¶Ô°æÈ¨µÄ¾ßÌåÒªÇó¡£ Ð»Ð»¡£ |
» ²ÂÄãϲ»¶
²ÄÁÏר˶ӢһÊý¶þ306
ÒѾÓÐ5È˻ظ´
085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö
ÒѾÓÐ9È˻ظ´
0703»¯Ñ§µ÷¼Á
ÒѾÓÐ12È˻ظ´
0703»¯Ñ§ 305Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
0703»¯Ñ§µ÷¼Á£¬Çó¸÷λÀÏʦÊÕÁô
ÒѾÓÐ10È˻ظ´
271²ÄÁϹ¤³ÌÇóµ÷¼Á
ÒѾÓÐ5È˻ظ´
281Çóµ÷¼Á£¨0805£©
ÒѾÓÐ16È˻ظ´
304Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
²ÄÁϹ¤³Ìר˶µ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸Ìì´ó²ÄÁÏÓ뻯¹¤£¨085600£©×Ü·Ö338
ÒѾÓÐ4È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÎÊÌ⣺vasp¼ÆËãͻȻÖжϣ¬cpuÀûÓÃÂÊÏÔʾΪ0£¬ÕâÊÇʲôÇé¿ö£¬Ã»Óжϵç
ÒѾÓÐ3È˻ظ´
vasp5.2 openmpi+intel+mkl±àÒ룬ÄÜÁ¿ÕýÖµÎÊÌâ
ÒѾÓÐ7È˻ظ´
vasp×ÔÇ¢¼ÆËãKµã²»Æ¥ÅäÎÊÌ⣬¼±£¡£¡
ÒѾÓÐ15È˻ظ´
VASP¼ÆËãʱµÄ¼¸¸öϸ½ÚÉèÖÃÎÊÌ⣬ϣÍûÓоÑéµÄÈ˹ýÀ´Ö¸µãһϣ¡
ÒѾÓÐ23È˻ظ´
¡¾ÇóÖú³É¹¦¡¿vasp²âÊÔKµãÊÕÁ²ÐԵĽű¾ÎÊÌâ
ÒѾÓÐ20È˻ظ´
¡¾ÇóÖú¡¿¼òµ¥ÎÊÌâ----¹ØÓÚvasp¾§¸ñÓÅ»¯
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿¹ØÓÚVASPÖÐKpointÉèÖÃÎÊÌâ
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿vasp°²×°ÎÊÌâ
ÒѾÓÐ27È˻ظ´
¡¾ÇóÖú¡¿vaspÖйØÓڵ糡µ¥Î»µÄÎÊÌâ
ÒѾÓÐ12È˻ظ´
¡¾ÇóÖú¡¿vasp5.2Òì³£Í˳öµÄÎÊÌâ
ÒѾÓÐ16È˻ظ´

wuli8
ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)
¡¡¡¡
- 1STÇ¿Ìû: 2
- Ó¦Öú: 35 (СѧÉú)
- ¹ó±ö: 12.924
- ½ð±Ò: 20190.4
- É¢½ð: 15888
- ºì»¨: 88
- ɳ·¢: 4
- Ìû×Ó: 7840
- ÔÚÏß: 1114.6Сʱ
- ³æºÅ: 465889
- ×¢²á: 2007-11-23
- רҵ: ÎïÀíѧI
- ¹ÜϽ: ¼ÆËãÄ£Äâ

4Â¥2010-07-02 17:10:50
aylayl08
ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)
ÖÁ×ðÌìЫ
- 1STÇ¿Ìû: 1
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ¹ó±ö: 4.825
- ½ð±Ò: 18823.7
- É¢½ð: 2180
- ºì»¨: 34
- ɳ·¢: 48
- Ìû×Ó: 16357
- ÔÚÏß: 824Сʱ
- ³æºÅ: 533169
- ×¢²á: 2008-03-26
- רҵ: ÎÞ»ú·Ç½ðÊô»ù¸´ºÏ²ÄÁÏ
- ¹ÜϽ: Á¿×Ó»¯Ñ§
¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
| y1dingר¼Ò˵µÄÓ¦¸ÃÊÇû´í£¬²»¹ýÂò֮ǰ»¹ÊÇÔÙÎÊÎÊÔ×÷Õ߱ȽϺà |

2Â¥2010-07-02 16:40:46
wuli8
ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)
¡¡¡¡
- 1STÇ¿Ìû: 2
- Ó¦Öú: 35 (СѧÉú)
- ¹ó±ö: 12.924
- ½ð±Ò: 20190.4
- É¢½ð: 15888
- ºì»¨: 88
- ɳ·¢: 4
- Ìû×Ó: 7840
- ÔÚÏß: 1114.6Сʱ
- ³æºÅ: 465889
- ×¢²á: 2007-11-23
- רҵ: ÎïÀíѧI
- ¹ÜϽ: ¼ÆËãÄ£Äâ
|
The license covers access to the source-code, the program documentation and to the data-base for ultrasoft pseudopotentials and PAW-potentials and allows the use of the software by up to six researchers belonging to this research group. UW reserves the exclusive property of the software. It declines any liability for the software and any responsibility for the results of calculations produced with the program. The license does not cover any maintenance service for the software or support for its implementation. ÕâÊÇÔʼµÄ˵·¨¡£ ÊÇÐÒéÎļþµÄÄÚÈÝ¡£ |

3Â¥2010-07-02 17:07:49
aylayl08
ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)
ÖÁ×ðÌìЫ
- 1STÇ¿Ìû: 1
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ¹ó±ö: 4.825
- ½ð±Ò: 18823.7
- É¢½ð: 2180
- ºì»¨: 34
- ɳ·¢: 48
- Ìû×Ó: 16357
- ÔÚÏß: 824Сʱ
- ³æºÅ: 533169
- ×¢²á: 2008-03-26
- רҵ: ÎÞ»ú·Ç½ðÊô»ù¸´ºÏ²ÄÁÏ
- ¹ÜϽ: Á¿×Ó»¯Ñ§
¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
|
Ëû˵ÊÇÕâô˵£¬ÆäËûÈËÓÃvaspËã¶«Î÷µÄ»°²»·¢ÎÄÕµ±È»ËûÃÇÒ²²»ÖªµÀ°¡£¬ËùÒÔ˵ֻҪÓÃvasp·¢ÎÄÕ¾ͱØÐë´øÕâÁù¸öÈËÖеÄÈËÃû¡£ÊÇÕâ¸öÒâ˼¡£ |

5Â¥2010-07-02 18:02:33














»Ø¸´´ËÂ¥